2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide

C11H10ClN3O2 — CID 113331820

IUPAC2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCc1ccon1
InChIInChI=1S/C11H10ClN3O2/c12-9-3-1-2-8(10(9)13)11(16)14-6-7-4-5-17-15-7/h1-5H,6,13H2,(H,14,16)
InChIKeyOTIDFVUVYUGVMP-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.84
Rot. Bonds3

About 2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide

2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide (PubChem CID 113331820) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
PubChem CID113331820
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCc1ccon1
InChIInChI=1S/C11H10ClN3O2/c12-9-3-1-2-8(10(9)13)11(16)14-6-7-4-5-17-15-7/h1-5H,6,13H2,(H,14,16)
InChIKeyOTIDFVUVYUGVMP-UHFFFAOYSA-N
XLogP1.84
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-nitro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79833326
2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 115540742
2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721254
3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide
CID 81171002
2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 113331710
3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 86783353
2-amino-3-chloro-N-propylbenzamide
CID 80503191
3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79492078
2-amino-3-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698206
2,4-dihydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721251
3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103842110
3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 81170611

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide (CID 113331820) is 2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide is Nc1c(Cl)cccc1C(=O)NCc1ccon1.
What is the InChIKey of 2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The InChIKey is OTIDFVUVYUGVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-9-3-1-2-8(10(9)13)11(16)14-6-7-4-5-17-15-7/h1-5H,6,13H2,(H,14,16).
What are the key properties of 2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide?
2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide has a molecular weight of 251.67 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide is sourced from PubChem (CID 113331820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).