2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide

C14H17N3O3 — CID 61488264

IUPAC2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1c(=O)oc2ccc(N)cc21)C1CC1
InChIInChI=1S/C14H17N3O3/c1-2-16(10-4-5-10)13(18)8-17-11-7-9(15)3-6-12(11)20-14(17)19/h3,6-7,10H,2,4-5,8,15H2,1H3
InChIKeyVWTRHSNFWLMHNE-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.19
Rot. Bonds4

About 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide

2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide (PubChem CID 61488264) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide
PubChem CID61488264
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1c(=O)oc2ccc(N)cc21)C1CC1
InChIInChI=1S/C14H17N3O3/c1-2-16(10-4-5-10)13(18)8-17-11-7-9(15)3-6-12(11)20-14(17)19/h3,6-7,10H,2,4-5,8,15H2,1H3
InChIKeyVWTRHSNFWLMHNE-UHFFFAOYSA-N
XLogP1.19
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide 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

2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide
CID 43447892
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentylacetamide
CID 43447858
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide
CID 43447893
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488262
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide
CID 61487292
N-(cyclohexylmethyl)-N-cyclopropyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 87028766
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
CID 61307519
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6485818
6-amino-3-(cyclobutylmethyl)-1,3-benzoxazol-2-one
CID 65458515
5-amino-3-(2-propylsulfonylethyl)-1,3-benzoxazol-2-one
CID 106724662
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 61307344
N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796129

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide (CID 61488264) is 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)Cn1c(=O)oc2ccc(N)cc21)C1CC1.
What is the InChIKey of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is VWTRHSNFWLMHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-16(10-4-5-10)13(18)8-17-11-7-9(15)3-6-12(11)20-14(17)19/h3,6-7,10H,2,4-5,8,15H2,1H3.
What are the key properties of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide?
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 275.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61488264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).