N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

C9H13N3O4 — CID 143460357

IUPACN-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCC(NC(=O)c1cc(C)on1)C(N)=O
InChIInChI=1S/C9H13N3O4/c1-5-3-6(12-16-5)9(14)11-7(4-15-2)8(10)13/h3,7H,4H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyWQBSAVPWHYNVHD-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.79
Rot. Bonds5

About N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 143460357) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID143460357
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC NameN-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCC(NC(=O)c1cc(C)on1)C(N)=O
InChIInChI=1S/C9H13N3O4/c1-5-3-6(12-16-5)9(14)11-7(4-15-2)8(10)13/h3,7H,4H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyWQBSAVPWHYNVHD-UHFFFAOYSA-N
XLogP-0.79
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 143460357) is N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is COCC(NC(=O)c1cc(C)on1)C(N)=O.
What is the InChIKey of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is WQBSAVPWHYNVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5-3-6(12-16-5)9(14)11-7(4-15-2)8(10)13/h3,7H,4H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 143460357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).