3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide

C26H25ClN4O3 — CID 2236064

IUPAC3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C26H25ClN4O3/c1-17-23(24(29-33-17)20-14-8-9-15-21(20)27)26(32)31(19-12-6-3-7-13-19)16-22-28-25(30-34-22)18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16H2,1H3
InChIKeyNCPIYWXWRWXBOZ-UHFFFAOYSA-N
MW476.96 g/mol
LogP6.33
Rot. Bonds6

About 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 2236064) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID2236064
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC Name3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C26H25ClN4O3/c1-17-23(24(29-33-17)20-14-8-9-15-21(20)27)26(32)31(19-12-6-3-7-13-19)16-22-28-25(30-34-22)18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16H2,1H3
InChIKeyNCPIYWXWRWXBOZ-UHFFFAOYSA-N
XLogP6.33
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.96
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{5-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl}pyridine
CID 666253
5-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 878335
3-(2-chlorophenyl)-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 1259131
3-(2-chlorophenyl)-5-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 5308737
N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 44526877
3-Butyl-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazole
CID 5008898
[(2S)-2-[3-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 90422605
US9493446, Ref 10
CID 117872837
3-(2-chlorophenyl)-N-isopropyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-methyl-4-isoxazolecarboxamide
CID 1259392
3-(2-chlorophenyl)-5-methyl-N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)isoxazole-4-carboxamide
CID 2809469
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 134152326
US9493446, Ref 7
CID 117870788

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide (CID 2236064) is 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is NCPIYWXWRWXBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-17-23(24(29-33-17)20-14-8-9-15-21(20)27)26(32)31(19-12-6-3-7-13-19)16-22-28-25(30-34-22)18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 476.96 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2236064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).