3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide

C24H26N4O4S — CID 146065959

IUPAC3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@H]1C[C@H](C(=O)N2CCOCC2)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C24H26N4O4S/c1-15-7-12-33-20(15)22(29)25-19-14-17(24(30)28-8-10-31-11-9-28)13-18(19)23-26-21(27-32-23)16-5-3-2-4-6-16/h2-7,12,17-19H,8-11,13-14H2,1H3,(H,25,29)/t17-,18-,19+/m1/s1
InChIKeyOCFZTYBGYPAXAB-QRVBRYPASA-N
MW466.56 g/mol
LogP3.26
Rot. Bonds5

About 3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide

3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide (PubChem CID 146065959) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide
PubChem CID146065959
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@H]1C[C@H](C(=O)N2CCOCC2)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C24H26N4O4S/c1-15-7-12-33-20(15)22(29)25-19-14-17(24(30)28-8-10-31-11-9-28)13-18(19)23-26-21(27-32-23)16-5-3-2-4-6-16/h2-7,12,17-19H,8-11,13-14H2,1H3,(H,25,29)/t17-,18-,19+/m1/s1
InChIKeyOCFZTYBGYPAXAB-QRVBRYPASA-N
XLogP3.26
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyrazine-2-carboxamide
CID 146065980
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
2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
CID 146069714
3-phenyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]propanamide
CID 146069709
N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide
CID 146069733
(3-methylthiophen-2-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946382
2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
CID 146069731
1-methyl-N-[(1S,2R,4R)-4-(methylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]imidazole-2-carboxamide
CID 154578662
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
(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide
CID 154578648
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-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide
CID 146069668

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide?
The IUPAC name of 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) is 3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)N[C@H]1C[C@H](C(=O)N2CCOCC2)C[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide?
The InChIKey is OCFZTYBGYPAXAB-QRVBRYPASA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-15-7-12-33-20(15)22(29)25-19-14-17(24(30)28-8-10-31-11-9-28)13-18(19)23-26-21(27-32-23)16-5-3-2-4-6-16/h2-7,12,17-19H,8-11,13-14H2,1H3,(H,25,29)/t17-,18-,19+/m1/s1.
What are the key properties of 3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide?
3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 146065959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).