3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide

C21H18FN5O4 — CID 6624022

IUPAC3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C21H18FN5O4/c1-13-9-19(25-27(13)12-20(28)23-11-16-3-2-8-30-16)24-21(29)18-10-17(26-31-18)14-4-6-15(22)7-5-14/h2-10H,11-12H2,1H3,(H,23,28)(H,24,25,29)
InChIKeySFIFRRRTTIULSB-UHFFFAOYSA-N
MW423.40 g/mol
LogP3.15
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 6624022) has the molecular formula C21H18FN5O4 and a molecular weight of 423.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID6624022
Molecular FormulaC21H18FN5O4
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC Name3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C21H18FN5O4/c1-13-9-19(25-27(13)12-20(28)23-11-16-3-2-8-30-16)24-21(29)18-10-17(26-31-18)14-4-6-15(22)7-5-14/h2-10H,11-12H2,1H3,(H,23,28)(H,24,25,29)
InChIKeySFIFRRRTTIULSB-UHFFFAOYSA-N
XLogP3.15
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide (CID 6624022) is 3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)nn1CC(=O)NCc1ccco1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is SFIFRRRTTIULSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4/c1-13-9-19(25-27(13)12-20(28)23-11-16-3-2-8-30-16)24-21(29)18-10-17(26-31-18)14-4-6-15(22)7-5-14/h2-10H,11-12H2,1H3,(H,23,28)(H,24,25,29).
What are the key properties of 3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methylpyrazol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6624022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).