N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide

C16H26N2O5 — CID 155996435

IUPACN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CCc1c(C)noc1C)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C16H26N2O5/c1-4-7-18(13-8-22-9-14(19)16(13)21)15(20)6-5-12-10(2)17-23-11(12)3/h13-14,16,19,21H,4-9H2,1-3H3/t13-,14-,16+/m1/s1
InChIKeyZPKYMNNBBNMRGQ-FMKPAKJESA-N
MW326.39 g/mol
LogP0.58
Rot. Bonds6

About N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide

N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide (PubChem CID 155996435) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide
PubChem CID155996435
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CCc1c(C)noc1C)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C16H26N2O5/c1-4-7-18(13-8-22-9-14(19)16(13)21)15(20)6-5-12-10(2)17-23-11(12)3/h13-14,16,19,21H,4-9H2,1-3H3/t13-,14-,16+/m1/s1
InChIKeyZPKYMNNBBNMRGQ-FMKPAKJESA-N
XLogP0.58
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide
CID 86977378
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpropanamide
CID 60645997
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 162631905
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
CID 43239752
N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 134004505
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125632
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 90610632
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide
CID 78847324
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 86908122
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide
CID 155996445
N-(2,3-dihydro-1H-inden-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 42885693
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 33080733

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide (CID 155996435) is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide is CCCN(C(=O)CCc1c(C)noc1C)[C@@H]1COC[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide?
The InChIKey is ZPKYMNNBBNMRGQ-FMKPAKJESA-N. The full InChI is InChI=1S/C16H26N2O5/c1-4-7-18(13-8-22-9-14(19)16(13)21)15(20)6-5-12-10(2)17-23-11(12)3/h13-14,16,19,21H,4-9H2,1-3H3/t13-,14-,16+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide?
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide has a molecular weight of 326.39 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide is sourced from PubChem (CID 155996435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).