2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole

C13H12N4O2 — CID 69424980

IUPAC2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3ccnn3)co2)cc1
InChIInChI=1S/C13H12N4O2/c1-18-12-4-2-10(3-5-12)13-15-11(9-19-13)8-17-7-6-14-16-17/h2-7,9H,8H2,1H3
InChIKeyCEJFZZVCBONBGT-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.99
Rot. Bonds4

About 2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole

2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole (PubChem CID 69424980) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole
PubChem CID69424980
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3ccnn3)co2)cc1
InChIInChI=1S/C13H12N4O2/c1-18-12-4-2-10(3-5-12)13-15-11(9-19-13)8-17-7-6-14-16-17/h2-7,9H,8H2,1H3
InChIKeyCEJFZZVCBONBGT-UHFFFAOYSA-N
XLogP1.99
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 47281616
4-(triazol-1-ylmethyl)-2-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-1,3-oxazole
CID 11179409
4-(triazol-1-ylmethyl)-2-[4-[[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-1,3-oxazole
CID 11191697
4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole
CID 69424870
4-(triazol-1-ylmethyl)-2-[4-[[2-[(E)-2-[4-(trifluoromethylsulfinyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-1,3-oxazole
CID 11214858
4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 75434158
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one
CID 18288236
2-(4-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56658949
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one
CID 18290993
4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 31808004
5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
CID 18275324
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56662391

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole (CID 69424980) is 2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole is COc1ccc(-c2nc(Cn3ccnn3)co2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole?
The InChIKey is CEJFZZVCBONBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-18-12-4-2-10(3-5-12)13-15-11(9-19-13)8-17-7-6-14-16-17/h2-7,9H,8H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole?
2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole has a molecular weight of 256.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 69424980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).