N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide

C16H21FN4O3 — CID 128991192

IUPACN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ncoc2C)on1
InChIInChI=1S/C16H21FN4O3/c1-10-4-14(24-19-10)8-21-6-12(17)5-13(21)7-20(3)16(22)15-11(2)23-9-18-15/h4,9,12-13H,5-8H2,1-3H3/t12-,13-/m0/s1
InChIKeyMSCKPRDJSAJULF-STQMWFEESA-N
MW336.37 g/mol
LogP1.96
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 128991192) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID128991192
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ncoc2C)on1
InChIInChI=1S/C16H21FN4O3/c1-10-4-14(24-19-10)8-21-6-12(17)5-13(21)7-20(3)16(22)15-11(2)23-9-18-15/h4,9,12-13H,5-8H2,1-3H3/t12-,13-/m0/s1
InChIKeyMSCKPRDJSAJULF-STQMWFEESA-N
XLogP1.96
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (CID 128991192) is N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide is Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ncoc2C)on1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is MSCKPRDJSAJULF-STQMWFEESA-N. The full InChI is InChI=1S/C16H21FN4O3/c1-10-4-14(24-19-10)8-21-6-12(17)5-13(21)7-20(3)16(22)15-11(2)23-9-18-15/h4,9,12-13H,5-8H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128991192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).