N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide

C16H14FN3O2 — CID 147039970

IUPACN-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(Cc2ccccc2F)c2ncco2)=C1
InChIInChI=1S/C16H14FN3O2/c1-11-8-13(9-19-11)15(21)20(16-18-6-7-22-16)10-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3
InChIKeyAZGJREHSIXWOAN-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.75
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide

N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide (PubChem CID 147039970) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide
PubChem CID147039970
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(Cc2ccccc2F)c2ncco2)=C1
InChIInChI=1S/C16H14FN3O2/c1-11-8-13(9-19-11)15(21)20(16-18-6-7-22-16)10-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3
InChIKeyAZGJREHSIXWOAN-UHFFFAOYSA-N
XLogP2.75
TPSA58.70 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-Fluorophenyl)methyl]-3-(1,3-oxazol-2-yl)urea
CID 118455455
N-[(E)-1-(4-fluorophenyl)-2-iodobut-1-enyl]-1,3-oxazol-2-amine
CID 143678607
4-amino-5,5,5-trifluoro-N-[(2-fluorophenyl)methyl]-2-imino-N-(1,3-oxazol-2-yl)pent-3-enamide
CID 149532321
N-[(4-fluorophenyl)methyl]-1,3-oxazol-2-amine
CID 16244126
N-[(3-fluorophenyl)methyl]-1,3-oxazol-2-amine
CID 16244127
1-[(3-Fluorophenyl)methyl]-3-(1,3-oxazol-2-yl)urea
CID 86792385
1-[1-(2,6-Difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea
CID 91650591
1-[(1S)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea
CID 99705623
1-[(1R)-1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(1,3-oxazol-2-yl)urea
CID 99705625
3-(2-Fluorobenzyl)-1-isobutyl-8-(1,3-oxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166619348
1-(2,5-difluorophenyl)-4-methyl-N-1,3-oxazol-2-yl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 172661883
N-(1,3-oxazol-2-yl)benzamide
CID 21998776

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide (CID 147039970) is N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide is CC1=NCC(C(=O)N(Cc2ccccc2F)c2ncco2)=C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide?
The InChIKey is AZGJREHSIXWOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-11-8-13(9-19-11)15(21)20(16-18-6-7-22-16)10-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-methyl-N-(1,3-oxazol-2-yl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 147039970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).