2-cyclopropyl-1,3-benzoxazol-6-amine

C10H10N2O — CID 28932049

IUPAC2-cyclopropyl-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C10H10N2O/c11-7-3-4-8-9(5-7)13-10(12-8)6-1-2-6/h3-6H,1-2,11H2
InChIKeyZXHKSGMKRLUKHC-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.29
Rot. Bonds1

About 2-cyclopropyl-1,3-benzoxazol-6-amine

2-cyclopropyl-1,3-benzoxazol-6-amine (PubChem CID 28932049) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-1,3-benzoxazol-6-amine
PubChem CID28932049
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-cyclopropyl-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C10H10N2O/c11-7-3-4-8-9(5-7)13-10(12-8)6-1-2-6/h3-6H,1-2,11H2
InChIKeyZXHKSGMKRLUKHC-UHFFFAOYSA-N
XLogP2.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylbenzoxazole
CID 7225
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
L 696229
CID 72352
L 696040
CID 131887
6-Nitro-2-phenyl-1,3-benzoxazole
CID 3092936
Benzoxazole, 2-ethyl-
CID 23239
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
1,3-Benzoxazole-2-carbonitrile
CID 11147793
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
Acetamide, n-(2-methyl-5-benzoxazolyl)-
CID 275495
2-(4-Aminophenyl)-1,3-benzoxazol-6-amine
CID 542899

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,3-benzoxazol-6-amine?
The IUPAC name of 2-cyclopropyl-1,3-benzoxazol-6-amine (CID 28932049) is 2-cyclopropyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-cyclopropyl-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-cyclopropyl-1,3-benzoxazol-6-amine is Nc1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of 2-cyclopropyl-1,3-benzoxazol-6-amine?
The InChIKey is ZXHKSGMKRLUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-7-3-4-8-9(5-7)13-10(12-8)6-1-2-6/h3-6H,1-2,11H2.
What are the key properties of 2-cyclopropyl-1,3-benzoxazol-6-amine?
2-cyclopropyl-1,3-benzoxazol-6-amine has a molecular weight of 174.20 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 28932049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).