N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

C34H42N2O4 — CID 146563670

IUPACN-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4coc(C5CC5)n4)c3)CC2)cc1C
InChIInChI=1S/C34H42N2O4/c1-22-18-27(14-17-32(22)39-2)24-8-6-23(7-9-24)20-36(34(38)26-12-15-30(37)16-13-26)29-5-3-4-28(19-29)31-21-40-33(35-31)25-10-11-25/h3-5,14,17-19,21,23-26,30,37H,6-13,15-16,20H2,1-2H3
InChIKeySBHDSKDSFIKFEQ-UHFFFAOYSA-N
MW542.72 g/mol
LogP7.39
Rot. Bonds8

About N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 146563670) has the molecular formula C34H42N2O4 and a molecular weight of 542.72 g/mol. Its IUPAC name is N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
PubChem CID146563670
Molecular FormulaC34H42N2O4
Molecular Weight542.72 g/mol
Exact Mass542.31
IUPAC NameN-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4coc(C5CC5)n4)c3)CC2)cc1C
InChIInChI=1S/C34H42N2O4/c1-22-18-27(14-17-32(22)39-2)24-8-6-23(7-9-24)20-36(34(38)26-12-15-30(37)16-13-26)29-5-3-4-28(19-29)31-21-40-33(35-31)25-10-11-25/h3-5,14,17-19,21,23-26,30,37H,6-13,15-16,20H2,1-2H3
InChIKeySBHDSKDSFIKFEQ-UHFFFAOYSA-N
XLogP7.39
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.72
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]carbamoyl]cyclohexyl]acetic acid
CID 135330171
N-[3-[2-(dimethylamino)pyrimidin-5-yl]phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 135330610
[4-[[4-(3-cyano-4-methoxyphenyl)cyclohexyl]methyl-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]carbamoyl]cyclohexyl] 3-hydroxyazetidine-1-carboxylate
CID 135330293
4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(6-propan-2-yl-3-pyridinyl)phenyl]cyclohexane-1-carboxamide
CID 142430671
4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 135329564
5-[3-[(4-hydroxycyclohexanecarbonyl)-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]amino]phenyl]-1,3-thiazole-2-carboxamide
CID 146501783
4-hydroxy-N-[3-[2-(2-hydroxyethoxy)-1,3-thiazol-5-yl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 146501757
4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[2-(1H-pyrazol-5-yl)ethynyl]phenyl]cyclohexane-1-carboxamide
CID 135329951
[4-[[3-(1-cyclopropylpyrazol-4-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate
CID 135330510
4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 135330456
4-[tert-butyl(dimethyl)silyl]oxy-N-[3-[5-(dimethylamino)-2-pyridinyl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 142430704
4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 142430660

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 146563670) is N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4coc(C5CC5)n4)c3)CC2)cc1C.
What is the InChIKey of N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is SBHDSKDSFIKFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2O4/c1-22-18-27(14-17-32(22)39-2)24-8-6-23(7-9-24)20-36(34(38)26-12-15-30(37)16-13-26)29-5-3-4-28(19-29)31-21-40-33(35-31)25-10-11-25/h3-5,14,17-19,21,23-26,30,37H,6-13,15-16,20H2,1-2H3.
What are the key properties of N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 542.72 g/mol, XLogP of 7.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 146563670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).