5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole

C14H16ClNO — CID 10538608

IUPAC5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole
SMILESClc1ccc2oc(CC3CCCCC3)nc2c1
InChIInChI=1S/C14H16ClNO/c15-11-6-7-13-12(9-11)16-14(17-13)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeyLYMBOXFUADQOHG-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.60
Rot. Bonds2

About 5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole

5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole (PubChem CID 10538608) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole
PubChem CID10538608
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole
SMILESClc1ccc2oc(CC3CCCCC3)nc2c1
InChIInChI=1S/C14H16ClNO/c15-11-6-7-13-12(9-11)16-14(17-13)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeyLYMBOXFUADQOHG-UHFFFAOYSA-N
XLogP4.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452
2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol
CID 82162918
2-butyl-5-chloro-1,3-benzoxazole
CID 3726019
7-chloro-4-(cyclohexylmethyl)quinoline
CID 122374976
N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide
CID 92762384
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585
1-[2-(2-cyclohexylethyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357650
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
4-(5-chloro-1,3-benzoxazol-2-yl)butanoic acid
CID 28930919
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
5-(5-chloro-1,3-benzoxazol-2-yl)-2-(oxan-4-ylmethyl)aniline
CID 158703549

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole (CID 10538608) is 5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole is Clc1ccc2oc(CC3CCCCC3)nc2c1.
What is the InChIKey of 5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole?
The InChIKey is LYMBOXFUADQOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-11-6-7-13-12(9-11)16-14(17-13)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2.
What are the key properties of 5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole?
5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole has a molecular weight of 249.74 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 10538608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).