(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide

C18H22N4O3 — CID 154578648

IUPAC(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide
SMILESCCC(=O)N[C@H]1C[C@H](C(=O)NC)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H22N4O3/c1-3-15(23)20-14-10-12(17(24)19-2)9-13(14)18-21-16(22-25-18)11-7-5-4-6-8-11/h4-8,12-14H,3,9-10H2,1-2H3,(H,19,24)(H,20,23)/t12-,13-,14+/m1/s1
InChIKeyVIXLBOPAODSDJJ-MCIONIFRSA-N
MW342.40 g/mol
LogP1.87
Rot. Bonds5

About (1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide

(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide (PubChem CID 154578648) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide
PubChem CID154578648
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide
SMILESCCC(=O)N[C@H]1C[C@H](C(=O)NC)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H22N4O3/c1-3-15(23)20-14-10-12(17(24)19-2)9-13(14)18-21-16(22-25-18)11-7-5-4-6-8-11/h4-8,12-14H,3,9-10H2,1-2H3,(H,19,24)(H,20,23)/t12-,13-,14+/m1/s1
InChIKeyVIXLBOPAODSDJJ-MCIONIFRSA-N
XLogP1.87
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide
CID 171150315
(1R,3S,4R)-3-[(2-cyclohexylacetyl)amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578633
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
(1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578640
1-methyl-N-[(1S,2R,4R)-4-(methylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]imidazole-2-carboxamide
CID 154578662
3-[(2-phenoxyacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 171150289
(1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578599
(1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578594
2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
CID 146069714
(1R,3S,4R)-3-(3-cyclopentylpropanoylamino)-N,N-dimethyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578542
3-phenyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]propanamide
CID 146069709
1-ethyl-N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyrazole-4-carboxamide
CID 146069659

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide?
The IUPAC name of (1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide (CID 154578648) is (1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for (1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide?
The canonical SMILES for (1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide is CCC(=O)N[C@H]1C[C@H](C(=O)NC)C[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of (1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide?
The InChIKey is VIXLBOPAODSDJJ-MCIONIFRSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-15(23)20-14-10-12(17(24)19-2)9-13(14)18-21-16(22-25-18)11-7-5-4-6-8-11/h4-8,12-14H,3,9-10H2,1-2H3,(H,19,24)(H,20,23)/t12-,13-,14+/m1/s1.
What are the key properties of (1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide?
(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 154578648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).