4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol

C15H19NO2 — CID 116928501

IUPAC4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
SMILESCc1nc2cc(CC3CCC(O)CC3)ccc2o1
InChIInChI=1S/C15H19NO2/c1-10-16-14-9-12(4-7-15(14)18-10)8-11-2-5-13(17)6-3-11/h4,7,9,11,13,17H,2-3,5-6,8H2,1H3
InChIKeyBIZMDVRQQBSZRC-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.23
Rot. Bonds2

About 4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol

4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol (PubChem CID 116928501) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
PubChem CID116928501
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
SMILESCc1nc2cc(CC3CCC(O)CC3)ccc2o1
InChIInChI=1S/C15H19NO2/c1-10-16-14-9-12(4-7-15(14)18-10)8-11-2-5-13(17)6-3-11/h4,7,9,11,13,17H,2-3,5-6,8H2,1H3
InChIKeyBIZMDVRQQBSZRC-UHFFFAOYSA-N
XLogP3.23
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carboxylic acid
CID 116927069
4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
CID 116941871
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
CID 115209662
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110707465
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 116932187
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine
CID 143344954
[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116930397
3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110390559
[1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine
CID 116929013
2-methyl-1,3-benzoxazol-5-ol
CID 10888073

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol (CID 116928501) is 4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol is Cc1nc2cc(CC3CCC(O)CC3)ccc2o1.
What is the InChIKey of 4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol?
The InChIKey is BIZMDVRQQBSZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-16-14-9-12(4-7-15(14)18-10)8-11-2-5-13(17)6-3-11/h4,7,9,11,13,17H,2-3,5-6,8H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol?
4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116928501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).