(4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide

C29H30N2O3 — CID 164680374

IUPAC(4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(C2=N[C@](C(=O)NC3CCCCC3)(c3ccccc3)[C@H](c3ccccc3)O2)c1
InChIInChI=1S/C29H30N2O3/c1-33-25-19-11-14-22(20-25)27-31-29(23-15-7-3-8-16-23,26(34-27)21-12-5-2-6-13-21)28(32)30-24-17-9-4-10-18-24/h2-3,5-8,11-16,19-20,24,26H,4,9-10,17-18H2,1H3,(H,30,32)/t26-,29+/m0/s1
InChIKeyYOHNORLFJLCLBR-LITSAYRRSA-N
MW454.57 g/mol
LogP5.56
Rot. Bonds6

About (4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide

(4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide (PubChem CID 164680374) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is (4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide
PubChem CID164680374
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name(4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(C2=N[C@](C(=O)NC3CCCCC3)(c3ccccc3)[C@H](c3ccccc3)O2)c1
InChIInChI=1S/C29H30N2O3/c1-33-25-19-11-14-22(20-25)27-31-29(23-15-7-3-8-16-23,26(34-27)21-12-5-2-6-13-21)28(32)30-24-17-9-4-10-18-24/h2-3,5-8,11-16,19-20,24,26H,4,9-10,17-18H2,1H3,(H,30,32)/t26-,29+/m0/s1
InChIKeyYOHNORLFJLCLBR-LITSAYRRSA-N
XLogP5.56
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503730
(4R,5R)-4-benzyl-N-(4-hydroxycyclohexyl)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-5H-1,3-oxazole-4-carboxamide
CID 23864421
(4S,5S)-4-benzyl-N'-(cyclohexylmethyl)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-5H-1,3-oxazole-4-carbohydrazide
CID 23919999
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
(4R,5R)-4-[(4-bromophenyl)methyl]-N-(4-hydroxycyclohexyl)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-5H-1,3-oxazole-4-carboxamide
CID 23948096
N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7356100
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
(4R,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-[4-(3-hydroxypropoxy)phenyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-5H-1,3-oxazole-4-carboxamide
CID 23947477
1-cyclohexyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
CID 5076844
1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea
CID 165119935
(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
N-cyclohexyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1103616

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide (CID 164680374) is (4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide is COc1cccc(C2=N[C@](C(=O)NC3CCCCC3)(c3ccccc3)[C@H](c3ccccc3)O2)c1.
What is the InChIKey of (4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide?
The InChIKey is YOHNORLFJLCLBR-LITSAYRRSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-33-25-19-11-14-22(20-25)27-31-29(23-15-7-3-8-16-23,26(34-27)21-12-5-2-6-13-21)28(32)30-24-17-9-4-10-18-24/h2-3,5-8,11-16,19-20,24,26H,4,9-10,17-18H2,1H3,(H,30,32)/t26-,29+/m0/s1.
What are the key properties of (4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide?
(4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-N-cyclohexyl-2-(3-methoxyphenyl)-4,5-diphenyl-5H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 164680374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).