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

C17H25N3O3 — CID 130386373

IUPAC5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC1CN(CC2CCOC2)CC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H25N3O3/c1-11-7-20(8-12-4-5-22-10-12)9-15(11)18-17(21)14-6-16(23-19-14)13-2-3-13/h6,11-13,15H,2-5,7-10H2,1H3,(H,18,21)
InChIKeyKCFFCSVCXBGVEY-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.64
Rot. Bonds5

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

5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130386373) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130386373
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC1CN(CC2CCOC2)CC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H25N3O3/c1-11-7-20(8-12-4-5-22-10-12)9-15(11)18-17(21)14-6-16(23-19-14)13-2-3-13/h6,11-13,15H,2-5,7-10H2,1H3,(H,18,21)
InChIKeyKCFFCSVCXBGVEY-UHFFFAOYSA-N
XLogP1.64
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386679
5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395340
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 160897490
5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395322
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386667
5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386576
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208
5-cyclopropyl-N-[1-[(4,5-dimethylfuran-2-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386650
5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395312
5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808746
5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386404

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130386373) is 5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CC1CN(CC2CCOC2)CC1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is KCFFCSVCXBGVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-7-20(8-12-4-5-22-10-12)9-15(11)18-17(21)14-6-16(23-19-14)13-2-3-13/h6,11-13,15H,2-5,7-10H2,1H3,(H,18,21).
What are the key properties of 5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).