1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide

C22H26N6O3 — CID 146069700

IUPAC1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide
SMILESCC(C)NC(=O)[C@H]1C[C@H](NC(=O)c2cn(C)cn2)[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C22H26N6O3/c1-13(2)24-20(29)15-9-16(17(10-15)25-21(30)18-11-28(3)12-23-18)22-26-19(27-31-22)14-7-5-4-6-8-14/h4-8,11-13,15-17H,9-10H2,1-3H3,(H,24,29)(H,25,30)/t15-,16-,17+/m1/s1
InChIKeyDLEQPCNLQJEFLJ-ZACQAIPSSA-N
MW422.49 g/mol
LogP2.29
Rot. Bonds6

About 1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide

1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide (PubChem CID 146069700) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide
PubChem CID146069700
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide
SMILESCC(C)NC(=O)[C@H]1C[C@H](NC(=O)c2cn(C)cn2)[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C22H26N6O3/c1-13(2)24-20(29)15-9-16(17(10-15)25-21(30)18-11-28(3)12-23-18)22-26-19(27-31-22)14-7-5-4-6-8-14/h4-8,11-13,15-17H,9-10H2,1-3H3,(H,24,29)(H,25,30)/t15-,16-,17+/m1/s1
InChIKeyDLEQPCNLQJEFLJ-ZACQAIPSSA-N
XLogP2.29
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[(1S,2R,4R)-4-(methylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]imidazole-2-carboxamide
CID 154578662
(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide
CID 154578648
6-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 146069732
(1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 146069657
N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyrazine-2-carboxamide
CID 146065980
(1R,3S,4R)-3-[(2-cyclohexylacetyl)amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578633
N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide
CID 146069668
1-ethyl-N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyrazole-4-carboxamide
CID 146069659
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide
CID 171150315
(1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578640
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 171150304
3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide
CID 146065959

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide (CID 146069700) is 1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide is CC(C)NC(=O)[C@H]1C[C@H](NC(=O)c2cn(C)cn2)[C@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of 1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide?
The InChIKey is DLEQPCNLQJEFLJ-ZACQAIPSSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-13(2)24-20(29)15-9-16(17(10-15)25-21(30)18-11-28(3)12-23-18)22-26-19(27-31-22)14-7-5-4-6-8-14/h4-8,11-13,15-17H,9-10H2,1-3H3,(H,24,29)(H,25,30)/t15-,16-,17+/m1/s1.
What are the key properties of 1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide?
1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide is sourced from PubChem (CID 146069700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).