1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one

C21H24N4O2 — CID 170510767

IUPAC1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one
SMILESCC(CC(=O)N1CCc2oc(CCc3ccccc3)nc2C1)n1cccn1
InChIInChI=1S/C21H24N4O2/c1-16(25-12-5-11-22-25)14-21(26)24-13-10-19-18(15-24)23-20(27-19)9-8-17-6-3-2-4-7-17/h2-7,11-12,16H,8-10,13-15H2,1H3
InChIKeyCAMIVQKXDGPODG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.19
Rot. Bonds6

About 1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one

1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one (PubChem CID 170510767) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one
PubChem CID170510767
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one
SMILESCC(CC(=O)N1CCc2oc(CCc3ccccc3)nc2C1)n1cccn1
InChIInChI=1S/C21H24N4O2/c1-16(25-12-5-11-22-25)14-21(26)24-13-10-19-18(15-24)23-20(27-19)9-8-17-6-3-2-4-7-17/h2-7,11-12,16H,8-10,13-15H2,1H3
InChIKeyCAMIVQKXDGPODG-UHFFFAOYSA-N
XLogP3.19
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169415488
(2S)-2-amino-3-hydroxy-1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 171910348
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 170505931
3-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridazin-6-one
CID 169411090
5-methyl-1-[2-oxo-2-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]pyrimidine-2,4-dione
CID 170506474
[2-(methylamino)-3-pyridinyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170512763
1-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 170511993
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421498
[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 170508885
6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 170502130
[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone;hydrochloride
CID 171709068
(2-chloro-6-fluorophenyl)-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421733

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one (CID 170510767) is 1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one is CC(CC(=O)N1CCc2oc(CCc3ccccc3)nc2C1)n1cccn1.
What is the InChIKey of 1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one?
The InChIKey is CAMIVQKXDGPODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(25-12-5-11-22-25)14-21(26)24-13-10-19-18(15-24)23-20(27-19)9-8-17-6-3-2-4-7-17/h2-7,11-12,16H,8-10,13-15H2,1H3.
What are the key properties of 1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one?
1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one has a molecular weight of 364.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 170510767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).