5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide

C17H20FN5O2 — CID 128974033

IUPAC5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)on1
InChIInChI=1S/C17H20FN5O2/c1-11-3-16(25-21-11)10-23-8-13(18)5-15(23)9-22(2)17(24)12-4-14(6-19)20-7-12/h3-4,7,13,15,20H,5,8-10H2,1-2H3/t13-,15-/m0/s1
InChIKeyOHZBGPKSSCMSLZ-ZFWWWQNUSA-N
MW345.38 g/mol
LogP1.87
Rot. Bonds5

About 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide

5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide (PubChem CID 128974033) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide
PubChem CID128974033
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)on1
InChIInChI=1S/C17H20FN5O2/c1-11-3-16(25-21-11)10-23-8-13(18)5-15(23)9-22(2)17(24)12-4-14(6-19)20-7-12/h3-4,7,13,15,20H,5,8-10H2,1-2H3/t13-,15-/m0/s1
InChIKeyOHZBGPKSSCMSLZ-ZFWWWQNUSA-N
XLogP1.87
TPSA89.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 128973857
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 128994900
5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide
CID 128993381
(2R)-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129332335
[3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 128994779
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide
CID 128991690
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine
CID 128994794
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
CID 128990917
4-fluoro-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 128972423
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 128969461
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 128991100
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 154737127

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide (CID 128974033) is 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide is Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)on1.
What is the InChIKey of 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is OHZBGPKSSCMSLZ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-11-3-16(25-21-11)10-23-8-13(18)5-15(23)9-22(2)17(24)12-4-14(6-19)20-7-12/h3-4,7,13,15,20H,5,8-10H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide?
5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 128974033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).