(2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one

C19H22ClN3O3 — CID 95209327

IUPAC(2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1)N1CCOCC1
InChIInChI=1S/C19H22ClN3O3/c1-13(22-8-10-25-11-9-22)19(24)23-7-6-17-16(12-23)18(21-26-17)14-2-4-15(20)5-3-14/h2-5,13H,6-12H2,1H3/t13-/m1/s1
InChIKeyGRFYGMHXDBVMOZ-CYBMUJFWSA-N
MW375.86 g/mol
LogP2.60
Rot. Bonds3

About (2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one

(2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 95209327) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is (2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID95209327
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name(2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1)N1CCOCC1
InChIInChI=1S/C19H22ClN3O3/c1-13(22-8-10-25-11-9-22)19(24)23-7-6-17-16(12-23)18(21-26-17)14-2-4-15(20)5-3-14/h2-5,13H,6-12H2,1H3/t13-/m1/s1
InChIKeyGRFYGMHXDBVMOZ-CYBMUJFWSA-N
XLogP2.60
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (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) is (2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one is C[C@H](C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1)N1CCOCC1.
What is the InChIKey of (2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is GRFYGMHXDBVMOZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13(22-8-10-25-11-9-22)19(24)23-7-6-17-16(12-23)18(21-26-17)14-2-4-15(20)5-3-14/h2-5,13H,6-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one?
(2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 375.86 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 95209327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).