5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide

C20H22N6O3 — CID 120927144

IUPAC5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)cc1
InChIInChI=1S/C20H22N6O3/c1-12-16(10-23-29-12)19(27)24-14-3-5-15(6-4-14)25-20(28)18-9-21-8-17(18)13-7-22-26(2)11-13/h3-7,10-11,17-18,21H,8-9H2,1-2H3,(H,24,27)(H,25,28)/t17-,18+/m1/s1
InChIKeyZPKFKQOGMVUWQU-MSOLQXFVSA-N
MW394.44 g/mol
LogP1.91
Rot. Bonds5

About 5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 120927144) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID120927144
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)cc1
InChIInChI=1S/C20H22N6O3/c1-12-16(10-23-29-12)19(27)24-14-3-5-15(6-4-14)25-20(28)18-9-21-8-17(18)13-7-22-26(2)11-13/h3-7,10-11,17-18,21H,8-9H2,1-2H3,(H,24,27)(H,25,28)/t17-,18+/m1/s1
InChIKeyZPKFKQOGMVUWQU-MSOLQXFVSA-N
XLogP1.91
TPSA114.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide (CID 120927144) is 5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)cc1.
What is the InChIKey of 5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZPKFKQOGMVUWQU-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-12-16(10-23-29-12)19(27)24-14-3-5-15(6-4-14)25-20(28)18-9-21-8-17(18)13-7-22-26(2)11-13/h3-7,10-11,17-18,21H,8-9H2,1-2H3,(H,24,27)(H,25,28)/t17-,18+/m1/s1.
What are the key properties of 5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 120927144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).