(7-amino-1,3-benzoxazol-2-yl)carbamic acid

C8H7N3O3 — CID 146371420

IUPAC(7-amino-1,3-benzoxazol-2-yl)carbamic acid
SMILESNc1cccc2nc(NC(=O)O)oc12
InChIInChI=1S/C8H7N3O3/c9-4-2-1-3-5-6(4)14-7(10-5)11-8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChIKeyNPTRIUDJSYDYKN-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.50
Rot. Bonds1

About (7-amino-1,3-benzoxazol-2-yl)carbamic acid

(7-amino-1,3-benzoxazol-2-yl)carbamic acid (PubChem CID 146371420) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is (7-amino-1,3-benzoxazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(7-amino-1,3-benzoxazol-2-yl)carbamic acid
PubChem CID146371420
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name(7-amino-1,3-benzoxazol-2-yl)carbamic acid
SMILESNc1cccc2nc(NC(=O)O)oc12
InChIInChI=1S/C8H7N3O3/c9-4-2-1-3-5-6(4)14-7(10-5)11-8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChIKeyNPTRIUDJSYDYKN-UHFFFAOYSA-N
XLogP1.50
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Aminobenzoxazole
CID 20707
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-(2-chlorophenyl)-1,3-benzoxazol-2-amine
CID 714839
N-Acetyl-N'-(5-methyl-benzooxazol-2-yl)-guanidine
CID 5762132
Benzoxazole, 2-amino-5-fluoro-
CID 15516
N-methyl-1,3-benzoxazol-2-amine
CID 590605
N-(4-Ethylphenyl)benzo[d]oxazol-2-amine
CID 39918957
N-(4,6-Dimethyl-2-pyrimidinyl)-2-benzoxazolamine
CID 854816
N-tert-butyl-5-nitro-1,3-benzoxazol-2-amine
CID 948518
N-[5-(3-methoxypropyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]-1,3-benzoxazol-2-amine
CID 2003439

Frequently Asked Questions

What is the IUPAC name of (7-amino-1,3-benzoxazol-2-yl)carbamic acid?
The IUPAC name of (7-amino-1,3-benzoxazol-2-yl)carbamic acid (CID 146371420) is (7-amino-1,3-benzoxazol-2-yl)carbamic acid.
What is the SMILES notation for (7-amino-1,3-benzoxazol-2-yl)carbamic acid?
The canonical SMILES for (7-amino-1,3-benzoxazol-2-yl)carbamic acid is Nc1cccc2nc(NC(=O)O)oc12.
What is the InChIKey of (7-amino-1,3-benzoxazol-2-yl)carbamic acid?
The InChIKey is NPTRIUDJSYDYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c9-4-2-1-3-5-6(4)14-7(10-5)11-8(12)13/h1-3H,9H2,(H,10,11)(H,12,13).
What are the key properties of (7-amino-1,3-benzoxazol-2-yl)carbamic acid?
(7-amino-1,3-benzoxazol-2-yl)carbamic acid has a molecular weight of 193.16 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-1,3-benzoxazol-2-yl)carbamic acid is sourced from PubChem (CID 146371420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).