2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide

C14H19N3O3 — CID 61489818

IUPAC2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1c(=O)oc2cc(N)ccc21
InChIInChI=1S/C14H19N3O3/c1-3-10(4-2)16-13(18)8-17-11-6-5-9(15)7-12(11)20-14(17)19/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,18)
InChIKeyDIHHVNLKTMLHMB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.48
Rot. Bonds5

About 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide

2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide (PubChem CID 61489818) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide
PubChem CID61489818
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1c(=O)oc2cc(N)ccc21
InChIInChI=1S/C14H19N3O3/c1-3-10(4-2)16-13(18)8-17-11-6-5-9(15)7-12(11)20-14(17)19/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,18)
InChIKeyDIHHVNLKTMLHMB-UHFFFAOYSA-N
XLogP1.48
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 61307344
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6485818
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
CID 61307519
methyl (2R,3S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-3-methylpentanoate
CID 8986799
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide
CID 43447893
N-[(3-aminophenyl)methyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 86581111
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide
CID 43447830
ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate
CID 8986413
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide (CID 61489818) is 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1c(=O)oc2cc(N)ccc21.
What is the InChIKey of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide?
The InChIKey is DIHHVNLKTMLHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-10(4-2)16-13(18)8-17-11-6-5-9(15)7-12(11)20-14(17)19/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide?
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide has a molecular weight of 277.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 61489818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).