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

C19H16FN5O2 — CID 70746287

IUPAC2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide
SMILESCC(Cn1cncn1)NC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C19H16FN5O2/c1-12(9-25-11-21-10-22-25)23-18(26)13-5-6-17-16(8-13)24-19(27-17)14-3-2-4-15(20)7-14/h2-8,10-12H,9H2,1H3,(H,23,26)
InChIKeyDVYIJGVXNLBNJG-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.04
Rot. Bonds5

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

2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide (PubChem CID 70746287) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide
PubChem CID70746287
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide
SMILESCC(Cn1cncn1)NC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C19H16FN5O2/c1-12(9-25-11-21-10-22-25)23-18(26)13-5-6-17-16(8-13)24-19(27-17)14-3-2-4-15(20)7-14/h2-8,10-12H,9H2,1H3,(H,23,26)
InChIKeyDVYIJGVXNLBNJG-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24790749
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 24791737
2-butyl-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24794231
(2,2-Difluoro-2-piperidin-2-yl-ethyl)-[2-(2-[1,2,4]triazol-1-yl-benzyl)-benzooxazol-4-yl]-amine
CID 10410866
3-(2-Methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 117606729
N-[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 709605
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 834177
2-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 1017704
2-benzyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 24790720
2-butyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24791010
2-Benzyl-N-methyl-N-[(4-methyl-1H-imidazol-2-YL)methyl]-1,3-benzoxazole-5-carboxamide
CID 24791476
3-(3-Fluorophenyl)-4-[(2-isopropyl-1,3-benzoxazol-5-yl)carbonyl]-2-piperazinone
CID 24793019

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide (CID 70746287) is 2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide is CC(Cn1cncn1)NC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is DVYIJGVXNLBNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-12(9-25-11-21-10-22-25)23-18(26)13-5-6-17-16(8-13)24-19(27-17)14-3-2-4-15(20)7-14/h2-8,10-12H,9H2,1H3,(H,23,26).
What are the key properties of 2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide?
2-(3-fluorophenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 3.04, 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-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 70746287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).