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

C18H27N3O3 — CID 130386679

IUPAC5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(CC2CCOCC2)C[C@@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H27N3O3/c1-12-9-21(10-13-4-6-23-7-5-13)11-16(12)19-18(22)15-8-17(24-20-15)14-2-3-14/h8,12-14,16H,2-7,9-11H2,1H3,(H,19,22)/t12-,16+/m1/s1
InChIKeyMBDXZBZJSBMDNL-WBMJQRKESA-N
MW333.43 g/mol
LogP2.03
Rot. Bonds5

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

5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130386679) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130386679
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(CC2CCOCC2)C[C@@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H27N3O3/c1-12-9-21(10-13-4-6-23-7-5-13)11-16(12)19-18(22)15-8-17(24-20-15)14-2-3-14/h8,12-14,16H,2-7,9-11H2,1H3,(H,19,22)/t12-,16+/m1/s1
InChIKeyMBDXZBZJSBMDNL-WBMJQRKESA-N
XLogP2.03
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-[4-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386373
5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386576
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
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-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808746
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-[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-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130386679) is 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@@H]1CN(CC2CCOCC2)C[C@@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is MBDXZBZJSBMDNL-WBMJQRKESA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12-9-21(10-13-4-6-23-7-5-13)11-16(12)19-18(22)15-8-17(24-20-15)14-2-3-14/h8,12-14,16H,2-7,9-11H2,1H3,(H,19,22)/t12-,16+/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).