N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide

C48H79ClN8O10P2 — CID 167678242

About N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide

N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide (PubChem CID 167678242) has the molecular formula C48H79ClN8O10P2 and a molecular weight of 1025.61 g/mol. Its IUPAC name is N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
• PubChem CID: 167678242
• Molecular Formula: C48H79ClN8O10P2
• Molecular Weight: 1025.61 g/mol
• Exact Mass: 1024.51
• IUPAC Name: N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
• SMILES: CC(C)N1[C@H]2CCCC[C@]2(C)OP1Cl.CCC1OC(n2ccc(NC(=O)C(C)C)nc2=O)CC1OP1O[C@@]2(C)CCCC[C@@H]2N1C(C)C.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1O
• InChI: InChI=1S/C24H39N4O5P.C14H21N3O4.C10H19ClNOP/c1-7-17-18(32-34-28(16(4)5)19-10-8-9-12-24(19,6)33-34)14-21(31-17)27-13-11-20(26-23(27)30)25-22(29)15(2)3;1-4-10-9(18)7-12(21-10)17-6-5-11(16-14(17)20)15-13(19)8(2)3;1-8(2)12-9-6-4-5-7-10(9,3)13-14(12)11/h11,13,15-19,21H,7-10,12,14H2,1-6H3,(H,25,26,29,30);5-6,8-10,12,18H,4,7H2,1-3H3,(H,15,16,19,20);8-9H,4-7H2,1-3H3/t17?,18?,19-,21?,24-,34?;9?,10-,12-;9-,10-,14?/m010/s1
• InChIKey: VDGKJVXMSXLLJT-YBMNXLIJSA-N
• XLogP: 9.38
• TPSA: 200.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1025.61
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide?

The IUPAC name of N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide (CID 167678242) is N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide.

What is the SMILES notation for N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide?

The canonical SMILES for N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide is CC(C)N1[C@H]2CCCC[C@]2(C)OP1Cl.CCC1OC(n2ccc(NC(=O)C(C)C)nc2=O)CC1OP1O[C@@]2(C)CCCC[C@@H]2N1C(C)C.CC[C@H]1O[C@@H](n2ccc(NC(=O)C(C)C)nc2=O)CC1O.

What is the InChIKey of N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide?

The InChIKey is VDGKJVXMSXLLJT-YBMNXLIJSA-N. The full InChI is InChI=1S/C24H39N4O5P.C14H21N3O4.C10H19ClNOP/c1-7-17-18(32-34-28(16(4)5)19-10-8-9-12-24(19,6)33-34)14-21(31-17)27-13-11-20(26-23(27)30)25-22(29)15(2)3;1-4-10-9(18)7-12(21-10)17-6-5-11(16-14(17)20)15-13(19)8(2)3;1-8(2)12-9-6-4-5-7-10(9,3)13-14(12)11/h11,13,15-19,21H,7-10,12,14H2,1-6H3,(H,25,26,29,30);5-6,8-10,12,18H,4,7H2,1-3H3,(H,15,16,19,20);8-9H,4-7H2,1-3H3/t17?,18?,19-,21?,24-,34?;9?,10-,12-;9-,10-,14?/m010/s1.

What are the key properties of N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide?

N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 1025.61 g/mol, XLogP of 9.38, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[[(3aS,7aS)-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphol-2-yl]oxy]-5-ethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(3aS,7aS)-2-chloro-7a-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-3aH-benzo[d][1,3,2]oxazaphosphole;N-[1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 167678242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).