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

C14H19N3O3 — CID 130395206

IUPAC5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CN(C2CC2)C[C@H]1O)c1cc(C2CC2)on1
InChIInChI=1S/C14H19N3O3/c18-12-7-17(9-3-4-9)6-11(12)15-14(19)10-5-13(20-16-10)8-1-2-8/h5,8-9,11-12,18H,1-4,6-7H2,(H,15,19)/t11-,12-/m1/s1
InChIKeyZCSHESQKPHLTCA-VXGBXAGGSA-N
MW277.32 g/mol
LogP0.49
Rot. Bonds4

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

5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130395206) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130395206
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CN(C2CC2)C[C@H]1O)c1cc(C2CC2)on1
InChIInChI=1S/C14H19N3O3/c18-12-7-17(9-3-4-9)6-11(12)15-14(19)10-5-13(20-16-10)8-1-2-8/h5,8-9,11-12,18H,1-4,6-7H2,(H,15,19)/t11-,12-/m1/s1
InChIKeyZCSHESQKPHLTCA-VXGBXAGGSA-N
XLogP0.49
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395230
N-(1-cyclopentyl-4-methylpyrrolidin-3-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386267
5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395229
5-cyclopropyl-N-[1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 146458087
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386694
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808738
N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386430
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208
N-[(3R)-1-cyclohexylpiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124863950
5-cyclopropyl-N-(4-ethyl-1-methylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386528
4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid
CID 118947444
5-cyclopropyl-N-(1,2-dimethylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130188089

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130395206) is 5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1CN(C2CC2)C[C@H]1O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZCSHESQKPHLTCA-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12-7-17(9-3-4-9)6-11(12)15-14(19)10-5-13(20-16-10)8-1-2-8/h5,8-9,11-12,18H,1-4,6-7H2,(H,15,19)/t11-,12-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).