4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole

C30H25N5O2 — CID 118059434

IUPAC4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ncc(-c2cn(C(c3ccccc3)c3ccccn3)c3cc(-c4c(C)noc4C)ccc23)cn1
InChIInChI=1S/C30H25N5O2/c1-19-28(20(2)37-34-19)22-12-13-24-25(23-16-32-30(36-3)33-17-23)18-35(27(24)15-22)29(21-9-5-4-6-10-21)26-11-7-8-14-31-26/h4-18,29H,1-3H3
InChIKeyHBTUIAAKDHKEHE-UHFFFAOYSA-N
MW487.56 g/mol
LogP6.41
Rot. Bonds6

About 4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole

4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 118059434) has the molecular formula C30H25N5O2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID118059434
Molecular FormulaC30H25N5O2
Molecular Weight487.56 g/mol
Exact Mass487.20
IUPAC Name4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ncc(-c2cn(C(c3ccccc3)c3ccccn3)c3cc(-c4c(C)noc4C)ccc23)cn1
InChIInChI=1S/C30H25N5O2/c1-19-28(20(2)37-34-19)22-12-13-24-25(23-16-32-30(36-3)33-17-23)18-35(27(24)15-22)29(21-9-5-4-6-10-21)26-11-7-8-14-31-26/h4-18,29H,1-3H3
InChIKeyHBTUIAAKDHKEHE-UHFFFAOYSA-N
XLogP6.41
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-3-yl]benzoic acid
CID 118059606
3,5-dimethyl-4-[3-methyl-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
CID 123241057
4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 90448939
3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(S)-phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
CID 118059512
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 118059784
4-[3-iodo-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 118937122
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzamide;1-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]-2-pyridinyl]propan-1-one;4-[3-(6-methoxy-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-(2-methoxypyrimidin-5-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 157224486
3,5-dimethyl-4-[1-[phenyl(pyridin-2-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]indazol-6-yl]-1,2-oxazole
CID 118937166
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid
CID 118937106
4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole
CID 118937079
3,5-dimethyl-4-[3-methyl-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;ethane
CID 142558064
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzoic acid
CID 159533614

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole (CID 118059434) is 4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole is COc1ncc(-c2cn(C(c3ccccc3)c3ccccn3)c3cc(-c4c(C)noc4C)ccc23)cn1.
What is the InChIKey of 4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HBTUIAAKDHKEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O2/c1-19-28(20(2)37-34-19)22-12-13-24-25(23-16-32-30(36-3)33-17-23)18-35(27(24)15-22)29(21-9-5-4-6-10-21)26-11-7-8-14-31-26/h4-18,29H,1-3H3.
What are the key properties of 4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 487.56 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 118059434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).