[4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine

C14H17ClN2O — CID 81433048

IUPAC[4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
SMILESNCC1CCC(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C14H17ClN2O/c15-11-5-6-12-13(7-11)18-14(17-12)10-3-1-9(8-16)2-4-10/h5-7,9-10H,1-4,8,16H2
InChIKeyRBXUJJBDFWKYTP-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.71
Rot. Bonds2

About [4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine

[4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine (PubChem CID 81433048) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is [4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
PubChem CID81433048
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name[4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
SMILESNCC1CCC(c2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C14H17ClN2O/c15-11-5-6-12-13(7-11)18-14(17-12)10-3-1-9(8-16)2-4-10/h5-7,9-10H,1-4,8,16H2
InChIKeyRBXUJJBDFWKYTP-UHFFFAOYSA-N
XLogP3.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine (CID 81433048) is [4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine is NCC1CCC(c2nc3ccc(Cl)cc3o2)CC1.
What is the InChIKey of [4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The InChIKey is RBXUJJBDFWKYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-11-5-6-12-13(7-11)18-14(17-12)10-3-1-9(8-16)2-4-10/h5-7,9-10H,1-4,8,16H2.
What are the key properties of [4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
[4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine has a molecular weight of 264.76 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-1,3-benzoxazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81433048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).