[3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone

C24H21N3O3 — CID 171315340

IUPAC[3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2noc3nc(-c4ccccc4)cc(C(=O)N4CCOCC4)c23)cc1
InChIInChI=1S/C24H21N3O3/c1-16-7-9-18(10-8-16)22-21-19(24(28)27-11-13-29-14-12-27)15-20(25-23(21)30-26-22)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyQKXLJEKIHRYVEM-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.34
Rot. Bonds3

About [3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone

[3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone (PubChem CID 171315340) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is [3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
PubChem CID171315340
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name[3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2noc3nc(-c4ccccc4)cc(C(=O)N4CCOCC4)c23)cc1
InChIInChI=1S/C24H21N3O3/c1-16-7-9-18(10-8-16)22-21-19(24(28)27-11-13-29-14-12-27)15-20(25-23(21)30-26-22)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyQKXLJEKIHRYVEM-UHFFFAOYSA-N
XLogP4.34
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 171315282
methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 29091596
[6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 171315436
3-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55797229
(4-ethylsulfonylpiperazin-1-yl)-(6-methyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 19617120
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 38377787
[6-cyclopropyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 171315535
[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 44824314
ethyl 4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 45493259
[4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 38031219
furan-2-yl-[4-[6-(furan-2-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 19615775
(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone (CID 171315340) is [3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2noc3nc(-c4ccccc4)cc(C(=O)N4CCOCC4)c23)cc1.
What is the InChIKey of [3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is QKXLJEKIHRYVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-7-9-18(10-8-16)22-21-19(24(28)27-11-13-29-14-12-27)15-20(25-23(21)30-26-22)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3.
What are the key properties of [3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
[3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 399.45 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 171315340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).