N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide

C16H14FN3O2 — CID 91888259

IUPACN-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2/c1-20-8-2-3-14(20)16(21)18-9-12-10-19-22-15(12)11-4-6-13(17)7-5-11/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeySRDTWTMMJFRXKJ-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.75
Rot. Bonds4

About N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 91888259) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID91888259
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2/c1-20-8-2-3-14(20)16(21)18-9-12-10-19-22-15(12)11-4-6-13(17)7-5-11/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeySRDTWTMMJFRXKJ-UHFFFAOYSA-N
XLogP2.75
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-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-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 22221434
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
CID 110647364
N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide
CID 39976491
methyl (2S)-2-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoate
CID 99837242
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-methylpyrrole-2-carboxamide
CID 90653495
N-[(4-fluorophenyl)methyl]-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759503
N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 78986080
5-(4-fluorophenyl)-1,2-oxazol-4-amine
CID 82410181
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 22221075
N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 114332469

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 91888259) is N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1cnoc1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is SRDTWTMMJFRXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-20-8-2-3-14(20)16(21)18-9-12-10-19-22-15(12)11-4-6-13(17)7-5-11/h2-8,10H,9H2,1H3,(H,18,21).
What are the key properties of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 91888259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).