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

C20H25N3O3 — CID 130386779

IUPAC5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC1CN(C(CO)c2ccccc2)CC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C20H25N3O3/c1-13-10-23(18(12-24)14-5-3-2-4-6-14)11-17(13)21-20(25)16-9-19(26-22-16)15-7-8-15/h2-6,9,13,15,17-18,24H,7-8,10-12H2,1H3,(H,21,25)
InChIKeyPKAAAFGDXJNODB-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.34
Rot. Bonds6

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

5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130386779) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130386779
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC1CN(C(CO)c2ccccc2)CC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C20H25N3O3/c1-13-10-23(18(12-24)14-5-3-2-4-6-14)11-17(13)21-20(25)16-9-19(26-22-16)15-7-8-15/h2-6,9,13,15,17-18,24H,7-8,10-12H2,1H3,(H,21,25)
InChIKeyPKAAAFGDXJNODB-UHFFFAOYSA-N
XLogP2.34
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(1-phenylpropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386614
5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide
CID 129314817
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 159011022
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208
5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395340
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386667
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395378
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 160897490
5-(azetidin-3-yl)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386630
5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395322
N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395230

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130386779) is 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CC1CN(C(CO)c2ccccc2)CC1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is PKAAAFGDXJNODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-10-23(18(12-24)14-5-3-2-4-6-14)11-17(13)21-20(25)16-9-19(26-22-16)15-7-8-15/h2-6,9,13,15,17-18,24H,7-8,10-12H2,1H3,(H,21,25).
What are the key properties of 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).