5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C16H19N5O3 — CID 130395199

IUPAC5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)C(=O)N1c1cnn(C)c1
InChIInChI=1S/C16H19N5O3/c1-9-5-13(16(23)21(9)11-7-17-20(2)8-11)18-15(22)12-6-14(24-19-12)10-3-4-10/h6-10,13H,3-5H2,1-2H3,(H,18,22)/t9-,13+/m1/s1
InChIKeyFDMCUNZRVYJKJK-RNCFNFMXSA-N
MW329.36 g/mol
LogP1.21
Rot. Bonds4

About 5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130395199) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130395199
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)C(=O)N1c1cnn(C)c1
InChIInChI=1S/C16H19N5O3/c1-9-5-13(16(23)21(9)11-7-17-20(2)8-11)18-15(22)12-6-14(24-19-12)10-3-4-10/h6-10,13H,3-5H2,1-2H3,(H,18,22)/t9-,13+/m1/s1
InChIKeyFDMCUNZRVYJKJK-RNCFNFMXSA-N
XLogP1.21
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-(1,2-dimethylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130188089
5-cyclopropyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386254
N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124738321
4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid
CID 118947444
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208
1-methyl-3-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyrazin-2-one
CID 146126634
5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 160514450
5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 154831088
5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 158888627
5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040433
5-cyclopropyl-N-[(2S,4R)-2-methyl-1-(2-methylpropylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040369
5-cyclopropyl-N-(4-ethyl-1-methylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386528

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130395199) is 5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@@H]1C[C@H](NC(=O)c2cc(C3CC3)on2)C(=O)N1c1cnn(C)c1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is FDMCUNZRVYJKJK-RNCFNFMXSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-9-5-13(16(23)21(9)11-7-17-20(2)8-11)18-15(22)12-6-14(24-19-12)10-3-4-10/h6-10,13H,3-5H2,1-2H3,(H,18,22)/t9-,13+/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,5R)-5-methyl-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).