5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C14H21N3O3 — CID 130395340

IUPAC5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CN(CCO)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C14H21N3O3/c1-9-7-17(4-5-18)8-12(9)15-14(19)11-6-13(20-16-11)10-2-3-10/h6,9-10,12,18H,2-5,7-8H2,1H3,(H,15,19)/t9-,12+/m0/s1
InChIKeyAWRAIDFBOYUHPH-JOYOIKCWSA-N
MW279.34 g/mol
LogP0.59
Rot. Bonds5

About 5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130395340) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130395340
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CN(CCO)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C14H21N3O3/c1-9-7-17(4-5-18)8-12(9)15-14(19)11-6-13(20-16-11)10-2-3-10/h6,9-10,12,18H,2-5,7-8H2,1H3,(H,15,19)/t9-,12+/m0/s1
InChIKeyAWRAIDFBOYUHPH-JOYOIKCWSA-N
XLogP0.59
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130395340) is 5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@H]1CN(CCO)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is AWRAIDFBOYUHPH-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-7-17(4-5-18)8-12(9)15-14(19)11-6-13(20-16-11)10-2-3-10/h6,9-10,12,18H,2-5,7-8H2,1H3,(H,15,19)/t9-,12+/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).