(3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C20H21N5O2 — CID 87051960

IUPAC(3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2C[C@H](c3nc(-c4ccncc4)no3)[C@@H](C)C2)cc1
InChIInChI=1S/C20H21N5O2/c1-13-3-5-16(6-4-13)22-20(26)25-11-14(2)17(12-25)19-23-18(24-27-19)15-7-9-21-10-8-15/h3-10,14,17H,11-12H2,1-2H3,(H,22,26)/t14-,17-/m0/s1
InChIKeyDOVOKSDGOJUDQK-YOEHRIQHSA-N
MW363.42 g/mol
LogP3.71
Rot. Bonds3

About (3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

(3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 87051960) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID87051960
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2C[C@H](c3nc(-c4ccncc4)no3)[C@@H](C)C2)cc1
InChIInChI=1S/C20H21N5O2/c1-13-3-5-16(6-4-13)22-20(26)25-11-14(2)17(12-25)19-23-18(24-27-19)15-7-9-21-10-8-15/h3-10,14,17H,11-12H2,1-2H3,(H,22,26)/t14-,17-/m0/s1
InChIKeyDOVOKSDGOJUDQK-YOEHRIQHSA-N
XLogP3.71
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 87051969
N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 156601928
1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 156601559
N-(4-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097314
2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 156601877
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4183406
5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 156601885
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 90509184
(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 52511029
N-(4-methylphenyl)-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74507714
5-[(3S,4S)-1-cyclopropylsulfonyl-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 87049987
(3R)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456358

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 87051960) is (3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2C[C@H](c3nc(-c4ccncc4)no3)[C@@H](C)C2)cc1.
What is the InChIKey of (3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is DOVOKSDGOJUDQK-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-3-5-16(6-4-13)22-20(26)25-11-14(2)17(12-25)19-23-18(24-27-19)15-7-9-21-10-8-15/h3-10,14,17H,11-12H2,1-2H3,(H,22,26)/t14-,17-/m0/s1.
What are the key properties of (3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
(3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 87051960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).