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

C19H23N3O2 — CID 169421348

IUPAC(3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCC1(C(=O)N2CCc3oc(-c4ccccc4)nc3C2)CCCNC1
InChIInChI=1S/C19H23N3O2/c1-19(9-5-10-20-13-19)18(23)22-11-8-16-15(12-22)21-17(24-16)14-6-3-2-4-7-14/h2-4,6-7,20H,5,8-13H2,1H3
InChIKeyYZGVCTBWDCHODH-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.62
Rot. Bonds2

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

(3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 169421348) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID169421348
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCC1(C(=O)N2CCc3oc(-c4ccccc4)nc3C2)CCCNC1
InChIInChI=1S/C19H23N3O2/c1-19(9-5-10-20-13-19)18(23)22-11-8-16-15(12-22)21-17(24-16)14-6-3-2-4-7-14/h2-4,6-7,20H,5,8-13H2,1H3
InChIKeyYZGVCTBWDCHODH-UHFFFAOYSA-N
XLogP2.62
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 171915187
(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrrolidin-3-ylphenyl)methanone
CID 170511489
2-(cyclopropylamino)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 170504582
(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
[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(3-methyloxetan-3-yl)methanone
CID 170503538
3-methylsulfonyl-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 170502048
(2,5-dimethylpyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169414023
oxolan-2-yl-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169413850
6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 170508120
(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
CID 170509553
2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 91350154
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504699

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 169421348) is (3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is CC1(C(=O)N2CCc3oc(-c4ccccc4)nc3C2)CCCNC1.
What is the InChIKey of (3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is YZGVCTBWDCHODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(9-5-10-20-13-19)18(23)22-11-8-16-15(12-22)21-17(24-16)14-6-3-2-4-7-14/h2-4,6-7,20H,5,8-13H2,1H3.
What are the key properties of (3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
(3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 169421348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).