(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

C15H18FN3O3 — CID 100815699

IUPAC(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)CNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H18FN3O3/c1-15(14(21)17-9-13(20)19(2)3)8-12(18-22-15)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,21)/t15-/m1/s1
InChIKeyOYGSGHUSVLAUQD-OAHLLOKOSA-N
MW307.33 g/mol
LogP0.91
Rot. Bonds4

About (5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 100815699) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is (5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID100815699
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)CNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H18FN3O3/c1-15(14(21)17-9-13(20)19(2)3)8-12(18-22-15)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,21)/t15-/m1/s1
InChIKeyOYGSGHUSVLAUQD-OAHLLOKOSA-N
XLogP0.91
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 100815699) is (5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is CN(C)C(=O)CNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of (5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is OYGSGHUSVLAUQD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-15(14(21)17-9-13(20)19(2)3)8-12(18-22-15)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,21)/t15-/m1/s1.
What are the key properties of (5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 307.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100815699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).