N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide

C26H34N4O4 — CID 648879

IUPACN'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(c2ccccc2)C2(C(=O)NC3CCCCC3)CCCC2)no1
InChIInChI=1S/C26H34N4O4/c1-19-18-22(29-34-19)28-23(31)14-15-24(32)30(21-12-6-3-7-13-21)26(16-8-9-17-26)25(33)27-20-10-4-2-5-11-20/h3,6-7,12-13,18,20H,2,4-5,8-11,14-17H2,1H3,(H,27,33)(H,28,29,31)
InChIKeyCOXNDRJZODRCCW-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.50
Rot. Bonds8

About N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide

N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide (PubChem CID 648879) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide.

Molecular Properties

Compound NameN'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide
PubChem CID648879
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(c2ccccc2)C2(C(=O)NC3CCCCC3)CCCC2)no1
InChIInChI=1S/C26H34N4O4/c1-19-18-22(29-34-19)28-23(31)14-15-24(32)30(21-12-6-3-7-13-21)26(16-8-9-17-26)25(33)27-20-10-4-2-5-11-20/h3,6-7,12-13,18,20H,2,4-5,8-11,14-17H2,1H3,(H,27,33)(H,28,29,31)
InChIKeyCOXNDRJZODRCCW-UHFFFAOYSA-N
XLogP4.50
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide with MolForge

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Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953287
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953837
Cim-0216
CID 42887770
1-(2-Ethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-methyl-isoxazol-3-yl)-amide
CID 3160077
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 707003
(2S)-1-benzoyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46872383
(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46873411
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953838
N-(2,4-Dimethyl-phenyl)-N-[(2-methoxy-ethylcarbamoyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 647551
N-Cyclopentylcarbamoylmethyl-N-(4-fluoro-benzyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 649526
Pentanedioic acid (4-fluoro-benzyl)-(phenethylcarbamoyl-methyl)-amide (5-methyl-isoxazol-3-yl)-amide
CID 650411
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylbutanediamide
CID 655623

Frequently Asked Questions

What is the IUPAC name of N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide?
The IUPAC name of N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide (CID 648879) is N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide.
What is the SMILES notation for N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide?
The canonical SMILES for N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide is Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)C2(C(=O)NC3CCCCC3)CCCC2)no1.
What is the InChIKey of N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide?
The InChIKey is COXNDRJZODRCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-19-18-22(29-34-19)28-23(31)14-15-24(32)30(21-12-6-3-7-13-21)26(16-8-9-17-26)25(33)27-20-10-4-2-5-11-20/h3,6-7,12-13,18,20H,2,4-5,8-11,14-17H2,1H3,(H,27,33)(H,28,29,31).
What are the key properties of N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide?
N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide has a molecular weight of 466.58 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(cyclohexylcarbamoyl)cyclopentyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide is sourced from PubChem (CID 648879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).