1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine

C13H16N2O — CID 61290076

IUPAC1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine
SMILESNC1(c2nc3ccccc3o2)CCCCC1
InChIInChI=1S/C13H16N2O/c14-13(8-4-1-5-9-13)12-15-10-6-2-3-7-11(10)16-12/h2-3,6-7H,1,4-5,8-9,14H2
InChIKeyMWEIRZYJTPQWBF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.95
Rot. Bonds1

About 1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine

1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine (PubChem CID 61290076) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine
PubChem CID61290076
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine
SMILESNC1(c2nc3ccccc3o2)CCCCC1
InChIInChI=1S/C13H16N2O/c14-13(8-4-1-5-9-13)12-15-10-6-2-3-7-11(10)16-12/h2-3,6-7H,1,4-5,8-9,14H2
InChIKeyMWEIRZYJTPQWBF-UHFFFAOYSA-N
XLogP2.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 81433944
1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 82622741
1-[5-[2-(1,3-benzoxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853951
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine
CID 102696482
1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 81433807
1-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]cyclobutan-1-amine
CID 81198454
2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
CID 63124311
methyl 1-(1,3-benzoxazol-2-yl)cyclobutane-1-carboxylate
CID 116999937
N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
CID 114095046
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309
1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 61292346
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716117

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine (CID 61290076) is 1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine is NC1(c2nc3ccccc3o2)CCCCC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The InChIKey is MWEIRZYJTPQWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-13(8-4-1-5-9-13)12-15-10-6-2-3-7-11(10)16-12/h2-3,6-7H,1,4-5,8-9,14H2.
What are the key properties of 1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine?
1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61290076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).