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

C17H23N5O2 — CID 130386404

IUPAC5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC1CN(Cc2ccnn2C)CC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H23N5O2/c1-11-8-22(9-13-5-6-18-21(13)2)10-15(11)19-17(23)14-7-16(24-20-14)12-3-4-12/h5-7,11-12,15H,3-4,8-10H2,1-2H3,(H,19,23)
InChIKeyPVXDUXCLKQAXAN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.54
Rot. Bonds5

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

5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130386404) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130386404
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC1CN(Cc2ccnn2C)CC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H23N5O2/c1-11-8-22(9-13-5-6-18-21(13)2)10-15(11)19-17(23)14-7-16(24-20-14)12-3-4-12/h5-7,11-12,15H,3-4,8-10H2,1-2H3,(H,19,23)
InChIKeyPVXDUXCLKQAXAN-UHFFFAOYSA-N
XLogP1.54
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
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5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-N-propyl-1,2-oxazole-3-carboxamide
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N-(1-((1-benzyl-1H-pyrazol-4-yl)methyl)azetidin-3-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132220122
N-(1-benzylpyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 146220593
N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 146220678
3-{1-[1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-YL}-5-(propan-2-YL)-1,2-oxazole
CID 22586697
3-{1-[1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-2-YL}-5-(propan-2-YL)-1,2-oxazole
CID 22586698
5-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-N-propyl-1,2-oxazole-3-carboxamide
CID 49778123
(5-Cyclopropyl-1,2-oxazol-3-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53553856
(5-Cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130386404) is 5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CC1CN(Cc2ccnn2C)CC1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is PVXDUXCLKQAXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-8-22(9-13-5-6-18-21(13)2)10-15(11)19-17(23)14-7-16(24-20-14)12-3-4-12/h5-7,11-12,15H,3-4,8-10H2,1-2H3,(H,19,23).
What are the key properties of 5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).