N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

C21H32N4O8 — CID 16718460

IUPACN-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOCC(NC(=O)c1ccon1)C(=O)NC(COC)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
InChIInChI=1S/C21H32N4O8/c1-12(2)8-14(17(26)21(3)11-32-21)22-19(28)15(9-30-4)24-20(29)16(10-31-5)23-18(27)13-6-7-33-25-13/h6-7,12,14-16H,8-11H2,1-5H3,(H,22,28)(H,23,27)(H,24,29)
InChIKeyYLZMWZGMKICTMS-UHFFFAOYSA-N
MW468.51 g/mol
LogP-0.56
Rot. Bonds14

About N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 16718460) has the molecular formula C21H32N4O8 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID16718460
Molecular FormulaC21H32N4O8
Molecular Weight468.51 g/mol
Exact Mass468.22
IUPAC NameN-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOCC(NC(=O)c1ccon1)C(=O)NC(COC)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
InChIInChI=1S/C21H32N4O8/c1-12(2)8-14(17(26)21(3)11-32-21)22-19(28)15(9-30-4)24-20(29)16(10-31-5)23-18(27)13-6-7-33-25-13/h6-7,12,14-16H,8-11H2,1-5H3,(H,22,28)(H,23,27)(H,24,29)
InChIKeyYLZMWZGMKICTMS-UHFFFAOYSA-N
XLogP-0.56
TPSA161.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (CID 16718460) is N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is COCC(NC(=O)c1ccon1)C(=O)NC(COC)C(=O)NC(CC(C)C)C(=O)C1(C)CO1.
What is the InChIKey of N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is YLZMWZGMKICTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O8/c1-12(2)8-14(17(26)21(3)11-32-21)22-19(28)15(9-30-4)24-20(29)16(10-31-5)23-18(27)13-6-7-33-25-13/h6-7,12,14-16H,8-11H2,1-5H3,(H,22,28)(H,23,27)(H,24,29).
What are the key properties of N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 468.51 g/mol, XLogP of -0.56, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-1-[[3-methoxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16718460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).