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

C19H16FN5O2 — CID 72873901

IUPAC2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide
SMILESCn1cnnc1CCNC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C19H16FN5O2/c1-25-11-22-24-17(25)7-8-21-18(26)12-5-6-16-15(10-12)23-19(27-16)13-3-2-4-14(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,21,26)
InChIKeyCJOAMTURQRXNAL-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.73
Rot. Bonds5

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

2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 72873901) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide
PubChem CID72873901
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide
SMILESCn1cnnc1CCNC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C19H16FN5O2/c1-25-11-22-24-17(25)7-8-21-18(26)12-5-6-16-15(10-12)23-19(27-16)13-3-2-4-14(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,21,26)
InChIKeyCJOAMTURQRXNAL-UHFFFAOYSA-N
XLogP2.73
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide (CID 72873901) is 2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide is Cn1cnnc1CCNC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is CJOAMTURQRXNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-25-11-22-24-17(25)7-8-21-18(26)12-5-6-16-15(10-12)23-19(27-16)13-3-2-4-14(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,21,26).
What are the key properties of 2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 72873901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).