7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium

C30H20N6OV — CID 142336508

IUPAC7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium
SMILESCn1nnc2nccc(-c3ccc(-c4ccnc5nc(-c6ccccc6)oc45)c(-c4ccccc4)c3)c21.[V]
InChIInChI=1S/C30H20N6O.V/c1-36-26-22(14-16-31-28(26)34-35-36)21-12-13-23(25(18-21)19-8-4-2-5-9-19)24-15-17-32-29-27(24)37-30(33-29)20-10-6-3-7-11-20;/h2-18H,1H3;
InChIKeyZBWLFSNIBCVWFI-UHFFFAOYSA-N
MW531.48 g/mol
LogP6.57
Rot. Bonds4

About 7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium

7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium (PubChem CID 142336508) has the molecular formula C30H20N6OV and a molecular weight of 531.48 g/mol. Its IUPAC name is 7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium.

Molecular Properties

Compound Name7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium
PubChem CID142336508
Molecular FormulaC30H20N6OV
Molecular Weight531.48 g/mol
Exact Mass531.11
IUPAC Name7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium
SMILESCn1nnc2nccc(-c3ccc(-c4ccnc5nc(-c6ccccc6)oc45)c(-c4ccccc4)c3)c21.[V]
InChIInChI=1S/C30H20N6O.V/c1-36-26-22(14-16-31-28(26)34-35-36)21-12-13-23(25(18-21)19-8-4-2-5-9-19)24-15-17-32-29-27(24)37-30(33-29)20-10-6-3-7-11-20;/h2-18H,1H3;
InChIKeyZBWLFSNIBCVWFI-UHFFFAOYSA-N
XLogP6.57
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.48
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 1291502
methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 15603280
2-[4-[[4-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]phenyl]-1,3-benzoxazole
CID 53307788
2-ethyl-5-[2-methyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 145974463
2-ethyl-5-[8-[[4-(4-fluorophenyl)phenyl]methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 156014691
N-butyl-4-pyridin-4-yl-N-[(1R)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]-1,3-benzoxazol-2-amine
CID 162652190
N-butyl-4-pyridin-2-yl-N-[(1R)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]-1,3-benzoxazol-2-amine
CID 162677428
3-[[4-Amino-3-(2-amino-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 58008660
3-[[4-Amino-3-(2-amino-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-phenylisoquinolin-1-one
CID 58008743
N-[6-[4-amino-1-[(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-yl]acetamide
CID 58009025
3-[[4-Amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(3-methyl-2-pyridinyl)isoquinolin-1-one
CID 58009105
N-(pyridin-2-ylmethyl)-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine
CID 155526368

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium?
The IUPAC name of 7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium (CID 142336508) is 7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium.
What is the SMILES notation for 7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium?
The canonical SMILES for 7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium is Cn1nnc2nccc(-c3ccc(-c4ccnc5nc(-c6ccccc6)oc45)c(-c4ccccc4)c3)c21.[V].
What is the InChIKey of 7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium?
The InChIKey is ZBWLFSNIBCVWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N6O.V/c1-36-26-22(14-16-31-28(26)34-35-36)21-12-13-23(25(18-21)19-8-4-2-5-9-19)24-15-17-32-29-27(24)37-30(33-29)20-10-6-3-7-11-20;/h2-18H,1H3;.
What are the key properties of 7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium?
7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium has a molecular weight of 531.48 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-methyltriazolo[4,5-b]pyridin-7-yl)-2-phenylphenyl]-2-phenyl-[1,3]oxazolo[4,5-b]pyridine;vanadium is sourced from PubChem (CID 142336508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).