[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone

C24H19N3O2 — CID 42245741

IUPAC[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1
InChIInChI=1S/C24H19N3O2/c28-24(20-7-4-13-25-15-20)27-14-12-22-21(16-27)23(26-29-22)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2
InChIKeyMPPVJZHUBQXSJS-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.60
Rot. Bonds3

About [3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone

[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone (PubChem CID 42245741) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is [3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
PubChem CID42245741
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1
InChIInChI=1S/C24H19N3O2/c28-24(20-7-4-13-25-15-20)27-14-12-22-21(16-27)23(26-29-22)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2
InChIKeyMPPVJZHUBQXSJS-UHFFFAOYSA-N
XLogP4.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 56749090
(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56744273
(3-amino-1H-pyrazol-5-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 56755359
[3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 97410174
(2-methylsulfanylphenyl)-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 25450039
(2R)-2-hydroxy-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 95212543
(5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 56878539
(2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 29022575
5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
CID 166337118
1-(4-pyridin-3-ylbenzoyl)pyrrolidin-3-one
CID 142687637
3-phenyl-5-(1-pyridin-3-ylpropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 45239587
(6-methyl-3-pyridinyl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 155874114

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone (CID 42245741) is [3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1.
What is the InChIKey of [3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The InChIKey is MPPVJZHUBQXSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-24(20-7-4-13-25-15-20)27-14-12-22-21(16-27)23(26-29-22)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2.
What are the key properties of [3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone has a molecular weight of 381.44 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 42245741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).