N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

C16H15FN4O2 — CID 53138242

IUPACN-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)Nc2ccc(C)c(F)c2)no1
InChIInChI=1S/C16H15FN4O2/c1-10-5-6-12(8-13(10)17)19-16(22)14-4-3-7-21(14)9-15-18-11(2)23-20-15/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyWHQQUAQYZMTGTR-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.93
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 53138242) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID53138242
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)Nc2ccc(C)c(F)c2)no1
InChIInChI=1S/C16H15FN4O2/c1-10-5-6-12(8-13(10)17)19-16(22)14-4-3-7-21(14)9-15-18-11(2)23-20-15/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyWHQQUAQYZMTGTR-UHFFFAOYSA-N
XLogP2.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (CID 53138242) is N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is Cc1nc(Cn2cccc2C(=O)Nc2ccc(C)c(F)c2)no1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is WHQQUAQYZMTGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-10-5-6-12(8-13(10)17)19-16(22)14-4-3-7-21(14)9-15-18-11(2)23-20-15/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 53138242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).