1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one

C19H24ClN3O2 — CID 56739972

IUPAC1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one
SMILESCCN(C)CC(C)C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C19H24ClN3O2/c1-4-22(3)11-13(2)19(24)23-10-9-17-16(12-23)18(21-25-17)14-5-7-15(20)8-6-14/h5-8,13H,4,9-12H2,1-3H3
InChIKeyMDKJRQFNAUURMG-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.47
Rot. Bonds5

About 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one

1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one (PubChem CID 56739972) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one
PubChem CID56739972
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one
SMILESCCN(C)CC(C)C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C19H24ClN3O2/c1-4-22(3)11-13(2)19(24)23-10-9-17-16(12-23)18(21-25-17)14-5-7-15(20)8-6-14/h5-8,13H,4,9-12H2,1-3H3
InChIKeyMDKJRQFNAUURMG-UHFFFAOYSA-N
XLogP3.47
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one with MolForge

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Related Compounds

(2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 95209327
(2R)-2-hydroxy-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 95212543
(2R)-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one
CID 95227255
2-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]acetic acid
CID 56751638
(2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
CID 95201830
N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide
CID 56747164
(2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 29022575
(2R)-2-propan-2-yloxy-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 95218876
(2S)-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one
CID 95217799
3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 56749090
4-[[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56749369
1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylsulfanylethanone
CID 29151035

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one (CID 56739972) is 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one is CCN(C)CC(C)C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one?
The InChIKey is MDKJRQFNAUURMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-4-22(3)11-13(2)19(24)23-10-9-17-16(12-23)18(21-25-17)14-5-7-15(20)8-6-14/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one?
1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one has a molecular weight of 361.87 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-[ethyl(methyl)amino]-2-methylpropan-1-one is sourced from PubChem (CID 56739972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).