2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole

C18H16N2O — CID 58076819

IUPAC2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(o2)CC(c2ccccn2)CC3)cc1
InChIInChI=1S/C18H16N2O/c1-2-6-13(7-3-1)18-20-16-10-9-14(12-17(16)21-18)15-8-4-5-11-19-15/h1-8,11,14H,9-10,12H2
InChIKeyRLHRNNPHMGHLOW-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.01
Rot. Bonds2

About 2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole

2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 58076819) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
PubChem CID58076819
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(o2)CC(c2ccccn2)CC3)cc1
InChIInChI=1S/C18H16N2O/c1-2-6-13(7-3-1)18-20-16-10-9-14(12-17(16)21-18)15-8-4-5-11-19-15/h1-8,11,14H,9-10,12H2
InChIKeyRLHRNNPHMGHLOW-UHFFFAOYSA-N
XLogP4.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-1,2-oxazol-5-yl)-5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 58076930
6-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 58076836
2-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)pyridine-3-carbonitrile
CID 66706212
3-bromo-5-(2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)benzonitrile
CID 58076811
(3R)-3-pyridin-2-ylcyclopentan-1-one
CID 39235685
6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 82289303
2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole-5-carboxylic acid
CID 82293582
(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine
CID 82391208
5-(3-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 58076871
2-pyridin-2-yl-5-pyrimidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole
CID 58076965
ethane;5-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 162744065
2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 177049874

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The IUPAC name of 2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 58076819) is 2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is c1ccc(-c2nc3c(o2)CC(c2ccccn2)CC3)cc1.
What is the InChIKey of 2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The InChIKey is RLHRNNPHMGHLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-6-13(7-3-1)18-20-16-10-9-14(12-17(16)21-18)15-8-4-5-11-19-15/h1-8,11,14H,9-10,12H2.
What are the key properties of 2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 276.34 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 58076819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).