(R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol

C29H37NO3 — CID 91390117

IUPAC(R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol
SMILESCc1ccc(OCC(Cc2cnc([C@](O)(c3ccccc3)C3CCCCC3)o2)C(C)C)cc1
InChIInChI=1S/C29H37NO3/c1-21(2)23(20-32-26-16-14-22(3)15-17-26)18-27-19-30-28(33-27)29(31,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4,6-7,10-11,14-17,19,21,23,25,31H,5,8-9,12-13,18,20H2,1-3H3/t23?,29-/m0/s1
InChIKeyORRJTYPOEJRAFM-IZCXSWDTSA-N
MW447.62 g/mol
LogP6.69
Rot. Bonds9

About (R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol

(R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol (PubChem CID 91390117) has the molecular formula C29H37NO3 and a molecular weight of 447.62 g/mol. Its IUPAC name is (R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol
PubChem CID91390117
Molecular FormulaC29H37NO3
Molecular Weight447.62 g/mol
Exact Mass447.28
IUPAC Name(R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol
SMILESCc1ccc(OCC(Cc2cnc([C@](O)(c3ccccc3)C3CCCCC3)o2)C(C)C)cc1
InChIInChI=1S/C29H37NO3/c1-21(2)23(20-32-26-16-14-22(3)15-17-26)18-27-19-30-28(33-27)29(31,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4,6-7,10-11,14-17,19,21,23,25,31H,5,8-9,12-13,18,20H2,1-3H3/t23?,29-/m0/s1
InChIKeyORRJTYPOEJRAFM-IZCXSWDTSA-N
XLogP6.69
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol?
The IUPAC name of (R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol (CID 91390117) is (R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol?
The canonical SMILES for (R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol is Cc1ccc(OCC(Cc2cnc([C@](O)(c3ccccc3)C3CCCCC3)o2)C(C)C)cc1.
What is the InChIKey of (R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol?
The InChIKey is ORRJTYPOEJRAFM-IZCXSWDTSA-N. The full InChI is InChI=1S/C29H37NO3/c1-21(2)23(20-32-26-16-14-22(3)15-17-26)18-27-19-30-28(33-27)29(31,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4,6-7,10-11,14-17,19,21,23,25,31H,5,8-9,12-13,18,20H2,1-3H3/t23?,29-/m0/s1.
What are the key properties of (R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol?
(R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol has a molecular weight of 447.62 g/mol, XLogP of 6.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[5-[3-methyl-2-[(4-methylphenoxy)methyl]butyl]-1,3-oxazol-2-yl]-phenylmethanol is sourced from PubChem (CID 91390117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).