(3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C20H24N6O2 — CID 120936708

IUPAC(3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCc1noc(-c2ccc(C)c(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)c2)n1
InChIInChI=1S/C20H24N6O2/c1-4-18-24-20(28-25-18)13-6-5-12(2)17(7-13)23-19(27)16-10-21-9-15(16)14-8-22-26(3)11-14/h5-8,11,15-16,21H,4,9-10H2,1-3H3,(H,23,27)/t15-,16+/m1/s1
InChIKeyQAIIONVTPBMAAF-CVEARBPZSA-N
MW380.45 g/mol
LogP2.28
Rot. Bonds5

About (3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120936708) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120936708
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCc1noc(-c2ccc(C)c(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)c2)n1
InChIInChI=1S/C20H24N6O2/c1-4-18-24-20(28-25-18)13-6-5-12(2)17(7-13)23-19(27)16-10-21-9-15(16)14-8-22-26(3)11-14/h5-8,11,15-16,21H,4,9-10H2,1-3H3,(H,23,27)/t15-,16+/m1/s1
InChIKeyQAIIONVTPBMAAF-CVEARBPZSA-N
XLogP2.28
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,4S)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120930962
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-methyl-5-pyridin-4-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120940718
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120921725
(3R,4S)-N-(2,5-diethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936893
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide
CID 71860519
3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 119815832
(3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120928515
(3R,4S)-N-(4-ethoxy-2-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120926499
(3R,4S)-N-(1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120921147
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917505
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119815839
(3R,4S)-N-[3-(methanesulfonamido)-4-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120922524

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120936708) is (3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is CCc1noc(-c2ccc(C)c(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)c2)n1.
What is the InChIKey of (3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is QAIIONVTPBMAAF-CVEARBPZSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-4-18-24-20(28-25-18)13-6-5-12(2)17(7-13)23-19(27)16-10-21-9-15(16)14-8-22-26(3)11-14/h5-8,11,15-16,21H,4,9-10H2,1-3H3,(H,23,27)/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120936708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).