N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C16H20FN3O2 — CID 97313575

IUPACN-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C16H20FN3O2/c1-10-15(11(2)22-19-10)16(21)18-9-14(20(3)4)12-5-7-13(17)8-6-12/h5-8,14H,9H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyJCZXCFAHPTXOKO-AWEZNQCLSA-N
MW305.35 g/mol
LogP2.46
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 97313575) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID97313575
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C16H20FN3O2/c1-10-15(11(2)22-19-10)16(21)18-9-14(20(3)4)12-5-7-13(17)8-6-12/h5-8,14H,9H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyJCZXCFAHPTXOKO-AWEZNQCLSA-N
XLogP2.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35997682
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 51095638
N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 75459780
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3-tert-butyl-5-methyl-1,2-oxazole-4-carboxamide
CID 110427593
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 41453654
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112764465
3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110623949
4-acetyl-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55949481
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112764534
N-(2-methoxy-2-phenylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 47187692

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 97313575) is N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is JCZXCFAHPTXOKO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10-15(11(2)22-19-10)16(21)18-9-14(20(3)4)12-5-7-13(17)8-6-12/h5-8,14H,9H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 97313575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).