N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C26H21FN4O2 — CID 19491737

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C26H21FN4O2/c27-21-13-11-18(12-14-21)23-15-24(33-30-23)26(32)28-16-20-17-31(22-9-5-2-6-10-22)29-25(20)19-7-3-1-4-8-19/h1-14,17,24H,15-16H2,(H,28,32)
InChIKeyIPTTZGCEMFYNPN-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.49
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19491737) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19491737
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C26H21FN4O2/c27-21-13-11-18(12-14-21)23-15-24(33-30-23)26(32)28-16-20-17-31(22-9-5-2-6-10-22)29-25(20)19-7-3-1-4-8-19/h1-14,17,24H,15-16H2,(H,28,32)
InChIKeyIPTTZGCEMFYNPN-UHFFFAOYSA-N
XLogP4.49
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19491737) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is IPTTZGCEMFYNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c27-21-13-11-18(12-14-21)23-15-24(33-30-23)26(32)28-16-20-17-31(22-9-5-2-6-10-22)29-25(20)19-7-3-1-4-8-19/h1-14,17,24H,15-16H2,(H,28,32).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19491737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).