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

C16H21FN4O3 — CID 154737127

IUPACN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2c(C)noc2C)on1
InChIInChI=1S/C16H21FN4O3/c1-9-4-15(24-19-9)16(22)18-6-13-5-12(17)7-21(13)8-14-10(2)20-23-11(14)3/h4,12-13H,5-8H2,1-3H3,(H,18,22)/t12-,13-/m0/s1
InChIKeyIVYMXHXHJZEOAF-STQMWFEESA-N
MW336.37 g/mol
LogP1.93
Rot. Bonds5

About 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

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 (PubChem CID 154737127) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID154737127
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC NameN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2c(C)noc2C)on1
InChIInChI=1S/C16H21FN4O3/c1-9-4-15(24-19-9)16(22)18-6-13-5-12(17)7-21(13)8-14-10(2)20-23-11(14)3/h4,12-13H,5-8H2,1-3H3,(H,18,22)/t12-,13-/m0/s1
InChIKeyIVYMXHXHJZEOAF-STQMWFEESA-N
XLogP1.93
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 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

N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide
CID 128991326
2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide
CID 128994494
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 128993903
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxythiolane-3-carboxamide
CID 128993887
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide
CID 128994350
[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
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
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide
CID 128991690
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
CID 128993783
N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 106127580
N-[(3-hydroxycyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 103280197

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2c(C)noc2C)on1.
What is the InChIKey of 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?
The InChIKey is IVYMXHXHJZEOAF-STQMWFEESA-N. The full InChI is InChI=1S/C16H21FN4O3/c1-9-4-15(24-19-9)16(22)18-6-13-5-12(17)7-21(13)8-14-10(2)20-23-11(14)3/h4,12-13H,5-8H2,1-3H3,(H,18,22)/t12-,13-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 336.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154737127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).