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

C16H21N5O2 — CID 130395389

IUPAC5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CN(Cc2ncc[nH]2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C16H21N5O2/c1-10-7-21(9-15-17-4-5-18-15)8-13(10)19-16(22)12-6-14(23-20-12)11-2-3-11/h4-6,10-11,13H,2-3,7-9H2,1H3,(H,17,18)(H,19,22)/t10-,13+/m0/s1
InChIKeyCNEUQPAMYGSBPV-GXFFZTMASA-N
MW315.38 g/mol
LogP1.53
Rot. Bonds5

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

5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130395389) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130395389
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CN(Cc2ncc[nH]2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C16H21N5O2/c1-10-7-21(9-15-17-4-5-18-15)8-13(10)19-16(22)12-6-14(23-20-12)11-2-3-11/h4-6,10-11,13H,2-3,7-9H2,1H3,(H,17,18)(H,19,22)/t10-,13+/m0/s1
InChIKeyCNEUQPAMYGSBPV-GXFFZTMASA-N
XLogP1.53
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386404
5-cyclopropyl-N-[1-[(4,5-dimethylfuran-2-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386650
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
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-(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-[(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)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395332
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)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130395389) is 5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@H]1CN(Cc2ncc[nH]2)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is CNEUQPAMYGSBPV-GXFFZTMASA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-7-21(9-15-17-4-5-18-15)8-13(10)19-16(22)12-6-14(23-20-12)11-2-3-11/h4-6,10-11,13H,2-3,7-9H2,1H3,(H,17,18)(H,19,22)/t10-,13+/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.53, 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-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).