6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole

C22H16N4O2 — CID 122447534

IUPAC6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4cnc(-c5ccccc5)[nH]4)oc3c2)c1
InChIInChI=1S/C22H16N4O2/c1-27-17-9-16(11-23-12-17)15-7-8-18-20(10-15)28-22(26-18)19-13-24-21(25-19)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25)
InChIKeyIABCPJQICMCCAS-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.96
Rot. Bonds4

About 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole

6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole (PubChem CID 122447534) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole
PubChem CID122447534
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4cnc(-c5ccccc5)[nH]4)oc3c2)c1
InChIInChI=1S/C22H16N4O2/c1-27-17-9-16(11-23-12-17)15-7-8-18-20(10-15)28-22(26-18)19-13-24-21(25-19)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25)
InChIKeyIABCPJQICMCCAS-UHFFFAOYSA-N
XLogP4.96
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Serabelisib
CID 70798655
Amg 579
CID 59351313
Ethyl (9s)-9-[3-(1h-Benzimidazol-2-Yloxy)phenyl]-8-Oxo-4,5,6,7,8,9-Hexahydro-2h-Pyrrolo[3,4-B]quinoline-3-Carboxylate
CID 49787166
2-fluoro-6-[(2-{[1-(1H-imidazol-1-ylacetyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218582
N-(2-Methoxyphenyl)-2-(1,3-Oxazol-5-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 66548458
N-(5-{(1s)-1-[(5-Fluoro-1,3-Benzoxazol-2-Yl)amino]ethyl}-2-Methylphenyl)imidazo[1,2-A]pyridine-3-Carboxamide
CID 86763813
4-(4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 90285039
4-((4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N-methylbenzamide
CID 117881270
methyl N-[(1S)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-6-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53482405
methyl N-[(1S)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53482508
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole (CID 122447534) is 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole is COc1cncc(-c2ccc3nc(-c4cnc(-c5ccccc5)[nH]4)oc3c2)c1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole?
The InChIKey is IABCPJQICMCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c1-27-17-9-16(11-23-12-17)15-7-8-18-20(10-15)28-22(26-18)19-13-24-21(25-19)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25).
What are the key properties of 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole?
6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole has a molecular weight of 368.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 122447534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).