N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide

C13H13N3O4 — CID 38382159

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)on1
InChIInChI=1S/C13H13N3O4/c1-8-6-11(20-16-8)13(18)15-9-2-4-10(5-3-9)19-7-12(14)17/h2-6H,7H2,1H3,(H2,14,17)(H,15,18)
InChIKeyGIXBSWCGCLINFC-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.10
Rot. Bonds5

About N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 38382159) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID38382159
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)on1
InChIInChI=1S/C13H13N3O4/c1-8-6-11(20-16-8)13(18)15-9-2-4-10(5-3-9)19-7-12(14)17/h2-6H,7H2,1H3,(H2,14,17)(H,15,18)
InChIKeyGIXBSWCGCLINFC-UHFFFAOYSA-N
XLogP1.10
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 7726776
4-chloro-N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 16194126
3-Isoxazolecarboxamide, N-(2-methoxyphenyl)-5-methyl-
CID 3021345
4-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 9550987
3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 17438333
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
N-(5-chloro-2-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 8065343
N-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 8152026
N-(3,4-dimethoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 17095589
3-methyl-N-(3,4,5-trimethoxyphenyl)isoxazole-5-carboxamide
CID 17095591
3-Isoxazolecarboxamide, N-(4-methoxyphenyl)-5-methyl-
CID 5113641
N-(4-Ethoxyphenyl)-5-[(pyrrolidin-1-YL)methyl]-1,2-oxazole-3-carboxamide
CID 16027278

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 38382159) is N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)on1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is GIXBSWCGCLINFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-8-6-11(20-16-8)13(18)15-9-2-4-10(5-3-9)19-7-12(14)17/h2-6H,7H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 275.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 38382159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).