3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H28FN3O2 — CID 16677288

IUPAC3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1C(c2ccc(F)cc2)=NOC1C(=O)N(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C20H28FN3O2/c1-13(2)24-11-9-17(10-12-24)23(4)20(25)19-14(3)18(22-26-19)15-5-7-16(21)8-6-15/h5-8,13-14,17,19H,9-12H2,1-4H3
InChIKeyIKYYODGBWRWPQN-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.90
Rot. Bonds4

About 3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16677288) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16677288
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1C(c2ccc(F)cc2)=NOC1C(=O)N(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C20H28FN3O2/c1-13(2)24-11-9-17(10-12-24)23(4)20(25)19-14(3)18(22-26-19)15-5-7-16(21)8-6-15/h5-8,13-14,17,19H,9-12H2,1-4H3
InChIKeyIKYYODGBWRWPQN-UHFFFAOYSA-N
XLogP2.90
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16677288) is 3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1C(c2ccc(F)cc2)=NOC1C(=O)N(C)C1CCN(C(C)C)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is IKYYODGBWRWPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-13(2)24-11-9-17(10-12-24)23(4)20(25)19-14(3)18(22-26-19)15-5-7-16(21)8-6-15/h5-8,13-14,17,19H,9-12H2,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 361.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N,4-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16677288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).