5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine

C16H13ClN2O — CID 115539806

IUPAC5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine
SMILESNc1cc2oc(C3CC3c3ccccc3)nc2cc1Cl
InChIInChI=1S/C16H13ClN2O/c17-12-7-14-15(8-13(12)18)20-16(19-14)11-6-10(11)9-4-2-1-3-5-9/h1-5,7-8,10-11H,6,18H2
InChIKeyFYARKKOHHDANLM-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.33
Rot. Bonds2

About 5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine

5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine (PubChem CID 115539806) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine
PubChem CID115539806
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine
SMILESNc1cc2oc(C3CC3c3ccccc3)nc2cc1Cl
InChIInChI=1S/C16H13ClN2O/c17-12-7-14-15(8-13(12)18)20-16(19-14)11-6-10(11)9-4-2-1-3-5-9/h1-5,7-8,10-11H,6,18H2
InChIKeyFYARKKOHHDANLM-UHFFFAOYSA-N
XLogP4.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.33
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

5-chloro-2-(2,3-dihydro-1-benzothiophen-2-yl)-1,3-benzoxazol-6-amine
CID 115539832
5-chloro-2-[methoxy(phenyl)methyl]-1,3-benzoxazol-6-amine
CID 115539639
5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine
CID 115539699
5-chloro-2-(2,2-dimethylpropyl)-1,3-benzoxazol-6-amine
CID 115539596
(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol
CID 91636106
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113
5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-benzoxazol-6-amine
CID 103309949
5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine
CID 115539645
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
5-chloro-2-[(3,4-dichlorophenyl)methyl]-1,3-benzoxazol-6-amine
CID 115539598
5-chloro-2-(3-iodophenyl)-1,3-benzoxazol-6-amine
CID 113331594
5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine
CID 107096884

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine (CID 115539806) is 5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine is Nc1cc2oc(C3CC3c3ccccc3)nc2cc1Cl.
What is the InChIKey of 5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine?
The InChIKey is FYARKKOHHDANLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-7-14-15(8-13(12)18)20-16(19-14)11-6-10(11)9-4-2-1-3-5-9/h1-5,7-8,10-11H,6,18H2.
What are the key properties of 5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine?
5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine has a molecular weight of 284.75 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115539806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).