3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole

C12H10N4O — CID 15074731

IUPAC3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
SMILESc1ccc(-c2cc(Cn3cncn3)on2)cc1
InChIInChI=1S/C12H10N4O/c1-2-4-10(5-3-1)12-6-11(17-15-12)7-16-9-13-8-14-16/h1-6,8-9H,7H2
InChIKeySSDDETQQRWSXGI-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.98
Rot. Bonds3

About 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole

3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole (PubChem CID 15074731) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
PubChem CID15074731
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
SMILESc1ccc(-c2cc(Cn3cncn3)on2)cc1
InChIInChI=1S/C12H10N4O/c1-2-4-10(5-3-1)12-6-11(17-15-12)7-16-9-13-8-14-16/h1-6,8-9H,7H2
InChIKeySSDDETQQRWSXGI-UHFFFAOYSA-N
XLogP1.98
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 56802768
3-(4-methylphenyl)-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95609947
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
1,3-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione
CID 1257284
1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62656794
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
5-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl]-3-phenyl-1,2-oxazole
CID 172914414
5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 37175464
(3-phenyl-1,2-oxazol-5-yl)methanesulfinic acid
CID 165450453
3-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzonitrile
CID 45141157
5-(furan-2-yl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 134010518
3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 38497755

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole (CID 15074731) is 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole is c1ccc(-c2cc(Cn3cncn3)on2)cc1.
What is the InChIKey of 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole?
The InChIKey is SSDDETQQRWSXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-2-4-10(5-3-1)12-6-11(17-15-12)7-16-9-13-8-14-16/h1-6,8-9H,7H2.
What are the key properties of 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole?
3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole has a molecular weight of 226.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 15074731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).