3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol

C30H31NO2 — CID 19358482

IUPAC3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol
SMILESCc1ccc(-c2nc(C3CCCCC3Cc3cccc(O)c3)oc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H31NO2/c1-20-10-14-23(15-11-20)28-29(24-16-12-21(2)13-17-24)33-30(31-28)27-9-4-3-7-25(27)18-22-6-5-8-26(32)19-22/h5-6,8,10-17,19,25,27,32H,3-4,7,9,18H2,1-2H3
InChIKeyMSHCXZXSCVNGDQ-UHFFFAOYSA-N
MW437.58 g/mol
LogP7.85
Rot. Bonds5

About 3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol

3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol (PubChem CID 19358482) has the molecular formula C30H31NO2 and a molecular weight of 437.58 g/mol. Its IUPAC name is 3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol
PubChem CID19358482
Molecular FormulaC30H31NO2
Molecular Weight437.58 g/mol
Exact Mass437.24
IUPAC Name3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol
SMILESCc1ccc(-c2nc(C3CCCCC3Cc3cccc(O)c3)oc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H31NO2/c1-20-10-14-23(15-11-20)28-29(24-16-12-21(2)13-17-24)33-30(31-28)27-9-4-3-7-25(27)18-22-6-5-8-26(32)19-22/h5-6,8,10-17,19,25,27,32H,3-4,7,9,18H2,1-2H3
InChIKeyMSHCXZXSCVNGDQ-UHFFFAOYSA-N
XLogP7.85
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol with MolForge

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Related Compounds

Oxaprozin
CID 4614
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
Dimethyl-POPOP
CID 76491
2-(4-Biphenyl)-6-phenylbenzoxazole
CID 86930
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
LY-465608
CID 9890319
Phenylpropanoic acid derivative, 56
CID 10164032
Phenylpropanoic acid derivative, 57
CID 10164033
FR-181157
CID 23685469
2-Methoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
CID 9866203
2-(5-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)ethoxy)-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 10224945
2-Ethoxycarbonyl-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionic acid
CID 10788402

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol?
The IUPAC name of 3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol (CID 19358482) is 3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol.
What is the SMILES notation for 3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol?
The canonical SMILES for 3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol is Cc1ccc(-c2nc(C3CCCCC3Cc3cccc(O)c3)oc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol?
The InChIKey is MSHCXZXSCVNGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2/c1-20-10-14-23(15-11-20)28-29(24-16-12-21(2)13-17-24)33-30(31-28)27-9-4-3-7-25(27)18-22-6-5-8-26(32)19-22/h5-6,8,10-17,19,25,27,32H,3-4,7,9,18H2,1-2H3.
What are the key properties of 3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol?
3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol has a molecular weight of 437.58 g/mol, XLogP of 7.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohexyl]methyl]phenol is sourced from PubChem (CID 19358482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).