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

C20H16FN5O2 — CID 4862744

IUPACN-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ncn(Cc4cccc(F)c4)n3)no2)cc1
InChIInChI=1S/C20H16FN5O2/c1-13-5-7-15(8-6-13)18-10-17(25-28-18)19(27)23-20-22-12-26(24-20)11-14-3-2-4-16(21)9-14/h2-10,12H,11H2,1H3,(H,23,24,27)
InChIKeyAWGVNGPNSILXSK-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.68
Rot. Bonds5

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

N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 4862744) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID4862744
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ncn(Cc4cccc(F)c4)n3)no2)cc1
InChIInChI=1S/C20H16FN5O2/c1-13-5-7-15(8-6-13)18-10-17(25-28-18)19(27)23-20-22-12-26(24-20)11-14-3-2-4-16(21)9-14/h2-10,12H,11H2,1H3,(H,23,24,27)
InChIKeyAWGVNGPNSILXSK-UHFFFAOYSA-N
XLogP3.68
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 4862744) is N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ncn(Cc4cccc(F)c4)n3)no2)cc1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AWGVNGPNSILXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-13-5-7-15(8-6-13)18-10-17(25-28-18)19(27)23-20-22-12-26(24-20)11-14-3-2-4-16(21)9-14/h2-10,12H,11H2,1H3,(H,23,24,27).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4862744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).