2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole

C16H12N4O2 — CID 139801783

IUPAC2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole
SMILESc1ccc2oc(COc3ccc(-n4cncn4)cc3)nc2c1
InChIInChI=1S/C16H12N4O2/c1-2-4-15-14(3-1)19-16(22-15)9-21-13-7-5-12(6-8-13)20-11-17-10-18-20/h1-8,10-11H,9H2
InChIKeyBHLJCCUYSBFLPP-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.99
Rot. Bonds4

About 2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole

2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole (PubChem CID 139801783) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole
PubChem CID139801783
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole
SMILESc1ccc2oc(COc3ccc(-n4cncn4)cc3)nc2c1
InChIInChI=1S/C16H12N4O2/c1-2-4-15-14(3-1)19-16(22-15)9-21-13-7-5-12(6-8-13)20-11-17-10-18-20/h1-8,10-11H,9H2
InChIKeyBHLJCCUYSBFLPP-UHFFFAOYSA-N
XLogP2.99
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile
CID 47118122
1-(4-butoxyphenyl)-1,2,4-triazole
CID 11458616
2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine
CID 89258514
4-(1,3-benzoxazol-2-ylmethoxy)-2-methylbenzoic acid
CID 107671276
1-[4-(1,3-benzoxazol-2-ylmethoxy)phenyl]-3-(3,4-dichlorophenyl)urea
CID 134466042
7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
CID 9354998
1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486021
ethane;2-[(6-methyl-2-pyridinyl)oxymethyl]-1,3-benzoxazole
CID 162737559
2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
CID 154096140
N-(2,3-dihydro-1H-inden-2-yl)-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 56718711

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole?
The IUPAC name of 2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole (CID 139801783) is 2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole is c1ccc2oc(COc3ccc(-n4cncn4)cc3)nc2c1.
What is the InChIKey of 2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole?
The InChIKey is BHLJCCUYSBFLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-2-4-15-14(3-1)19-16(22-15)9-21-13-7-5-12(6-8-13)20-11-17-10-18-20/h1-8,10-11H,9H2.
What are the key properties of 2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole?
2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole has a molecular weight of 292.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole is sourced from PubChem (CID 139801783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).