3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole

C24H21N5O — CID 142401091

IUPAC3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2nc(C)n([C@@H](c3ccccc3)c3ccccn3)c2c1
InChIInChI=1S/C24H21N5O/c1-15-22(16(2)30-28-15)19-13-21-24(26-14-19)27-17(3)29(21)23(18-9-5-4-6-10-18)20-11-7-8-12-25-20/h4-14,23H,1-3H3/t23-/m0/s1
InChIKeyDKSHQIKZTDAFGV-QHCPKHFHSA-N
MW395.47 g/mol
LogP5.04
Rot. Bonds4

About 3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole

3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole (PubChem CID 142401091) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
PubChem CID142401091
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2nc(C)n([C@@H](c3ccccc3)c3ccccn3)c2c1
InChIInChI=1S/C24H21N5O/c1-15-22(16(2)30-28-15)19-13-21-24(26-14-19)27-17(3)29(21)23(18-9-5-4-6-10-18)20-11-7-8-12-25-20/h4-14,23H,1-3H3/t23-/m0/s1
InChIKeyDKSHQIKZTDAFGV-QHCPKHFHSA-N
XLogP5.04
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-Tert-Butyl-2-[4-(3,5-Dimethyl-1,2-Oxazol-4-Yl)phenyl]imidazo[1,2-A]pyrazin-3-Amine
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2-[1-[2-[(5-Cyclopropyl-3-methyl-1,2-oxazol-4-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225451
2-[1-[2-[(5-Cyclopropyl-3-methyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225497
CID 139339317
CID 139339317
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7-Ethyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
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6-Methyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
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2-[1-[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225937
4-[[6-(3,5-Dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
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1-benzyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-amine
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole (CID 142401091) is 3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole is Cc1noc(C)c1-c1cnc2nc(C)n([C@@H](c3ccccc3)c3ccccn3)c2c1.
What is the InChIKey of 3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
The InChIKey is DKSHQIKZTDAFGV-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21N5O/c1-15-22(16(2)30-28-15)19-13-21-24(26-14-19)27-17(3)29(21)23(18-9-5-4-6-10-18)20-11-7-8-12-25-20/h4-14,23H,1-3H3/t23-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole has a molecular weight of 395.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole is sourced from PubChem (CID 142401091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).