2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone

C19H24FN3O2 — CID 170513208

IUPAC2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCC(C)c1nc2c(o1)CCN(C(=O)C(c1cccc(F)c1)N(C)C)C2
InChIInChI=1S/C19H24FN3O2/c1-12(2)18-21-15-11-23(9-8-16(15)25-18)19(24)17(22(3)4)13-6-5-7-14(20)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyOOTPNTQHWVJZGZ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.12
Rot. Bonds4

About 2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone

2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 170513208) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID170513208
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCC(C)c1nc2c(o1)CCN(C(=O)C(c1cccc(F)c1)N(C)C)C2
InChIInChI=1S/C19H24FN3O2/c1-12(2)18-21-15-11-23(9-8-16(15)25-18)19(24)17(22(3)4)13-6-5-7-14(20)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyOOTPNTQHWVJZGZ-UHFFFAOYSA-N
XLogP3.12
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone (CID 170513208) is 2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone is CC(C)c1nc2c(o1)CCN(C(=O)C(c1cccc(F)c1)N(C)C)C2.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is OOTPNTQHWVJZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12(2)18-21-15-11-23(9-8-16(15)25-18)19(24)17(22(3)4)13-6-5-7-14(20)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone?
2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 345.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 170513208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).