[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

C24H26N4O2 — CID 169419453

IUPAC[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCN1CCN(c2ccc(C(=O)N3CCc4oc(-c5ccccc5)nc4C3)cc2)CC1
InChIInChI=1S/C24H26N4O2/c1-26-13-15-27(16-14-26)20-9-7-19(8-10-20)24(29)28-12-11-22-21(17-28)25-23(30-22)18-5-3-2-4-6-18/h2-10H,11-17H2,1H3
InChIKeyZPDKTVOKNUVNTG-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.29
Rot. Bonds3

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

[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 169419453) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID169419453
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCN1CCN(c2ccc(C(=O)N3CCc4oc(-c5ccccc5)nc4C3)cc2)CC1
InChIInChI=1S/C24H26N4O2/c1-26-13-15-27(16-14-26)20-9-7-19(8-10-20)24(29)28-12-11-22-21(17-28)25-23(30-22)18-5-3-2-4-6-18/h2-10H,11-17H2,1H3
InChIKeyZPDKTVOKNUVNTG-UHFFFAOYSA-N
XLogP3.29
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169414023
6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 170508120
(3-methyl-1,2-oxazol-5-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504606
1,2-dimethyl-6-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one
CID 170512533
3-methylsulfonyl-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 170502048
(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(1,3-thiazol-5-yl)methanone
CID 169417462
(1-ethylpyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504334
(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
CID 170502772
(5-fluoro-2-pyridinyl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502779
[5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502438
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170505766
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170503699

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 169419453) is [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is CN1CCN(c2ccc(C(=O)N3CCc4oc(-c5ccccc5)nc4C3)cc2)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is ZPDKTVOKNUVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-26-13-15-27(16-14-26)20-9-7-19(8-10-20)24(29)28-12-11-22-21(17-28)25-23(30-22)18-5-3-2-4-6-18/h2-10H,11-17H2,1H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 402.50 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 169419453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).