4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide

C19H16FN5O2 — CID 91632248

IUPAC4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCn1cccc1-c1noc(CNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)n1
InChIInChI=1S/C19H16FN5O2/c1-25-8-2-3-16(25)18-23-17(27-24-18)11-22-19(26)15-9-13(10-21-15)12-4-6-14(20)7-5-12/h2-10,21H,11H2,1H3,(H,22,26)
InChIKeyCDPWHLFTCINILP-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.14
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide

4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 91632248) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID91632248
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCn1cccc1-c1noc(CNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)n1
InChIInChI=1S/C19H16FN5O2/c1-25-8-2-3-16(25)18-23-17(27-24-18)11-22-19(26)15-9-13(10-21-15)12-4-6-14(20)7-5-12/h2-10,21H,11H2,1H3,(H,22,26)
InChIKeyCDPWHLFTCINILP-UHFFFAOYSA-N
XLogP3.14
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide (CID 91632248) is 4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide is Cn1cccc1-c1noc(CNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is CDPWHLFTCINILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-25-8-2-3-16(25)18-23-17(27-24-18)11-22-19(26)15-9-13(10-21-15)12-4-6-14(20)7-5-12/h2-10,21H,11H2,1H3,(H,22,26).
What are the key properties of 4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide?
4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91632248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).