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

C12H17N3O3 — CID 130395414

IUPAC5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CNC[C@H]1CO)c1cc(C2CC2)on1
InChIInChI=1S/C12H17N3O3/c16-6-8-4-13-5-10(8)14-12(17)9-3-11(18-15-9)7-1-2-7/h3,7-8,10,13,16H,1-2,4-6H2,(H,14,17)/t8-,10?/m0/s1
InChIKeyHDQXHTHOPLMLPM-PEHGTWAWSA-N
MW251.29 g/mol
LogP-0.14
Rot. Bonds4

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

5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130395414) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130395414
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CNC[C@H]1CO)c1cc(C2CC2)on1
InChIInChI=1S/C12H17N3O3/c16-6-8-4-13-5-10(8)14-12(17)9-3-11(18-15-9)7-1-2-7/h3,7-8,10,13,16H,1-2,4-6H2,(H,14,17)/t8-,10?/m0/s1
InChIKeyHDQXHTHOPLMLPM-PEHGTWAWSA-N
XLogP-0.14
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 130188168
N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119612272
5-cyclopropyl-N-(4-ethyl-1-methylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386528
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808738
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386694
5-cyclopropyl-N-(1,2-dimethylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130188089
5-cyclopropyl-N-(2-hydroxy-1-piperidin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 130188178
5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154891187
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386458
5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395340
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208
5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395206

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130395414) is 5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CNC[C@H]1CO)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is HDQXHTHOPLMLPM-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-6-8-4-13-5-10(8)14-12(17)9-3-11(18-15-9)7-1-2-7/h3,7-8,10,13,16H,1-2,4-6H2,(H,14,17)/t8-,10?/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).