3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide

C16H18F2N2O3 — CID 71990790

IUPAC3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)NCC(O)c2c(F)cccc2F)on1
InChIInChI=1S/C16H18F2N2O3/c1-3-9(2)12-7-14(23-20-12)16(22)19-8-13(21)15-10(17)5-4-6-11(15)18/h4-7,9,13,21H,3,8H2,1-2H3,(H,19,22)
InChIKeyGSWLFIHFKKFNKQ-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.93
Rot. Bonds6

About 3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide

3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide (PubChem CID 71990790) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
PubChem CID71990790
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)NCC(O)c2c(F)cccc2F)on1
InChIInChI=1S/C16H18F2N2O3/c1-3-9(2)12-7-14(23-20-12)16(22)19-8-13(21)15-10(17)5-4-6-11(15)18/h4-7,9,13,21H,3,8H2,1-2H3,(H,19,22)
InChIKeyGSWLFIHFKKFNKQ-UHFFFAOYSA-N
XLogP2.93
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-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

3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 111477071
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111477467
(2,3,4,5,6-pentafluorophenyl) 3-butan-2-yl-1,2-oxazole-5-carboxylate
CID 87807235
3-butan-2-yl-N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 111459570
3-butan-2-yl-N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-5-carboxamide
CID 110001735
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
CID 111478300
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide
CID 111471313
1-butyl-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450361
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 111451310
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-hydroxy-5-methylbenzamide
CID 111451372
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 84584001

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide (CID 71990790) is 3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide is CCC(C)c1cc(C(=O)NCC(O)c2c(F)cccc2F)on1.
What is the InChIKey of 3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is GSWLFIHFKKFNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c1-3-9(2)12-7-14(23-20-12)16(22)19-8-13(21)15-10(17)5-4-6-11(15)18/h4-7,9,13,21H,3,8H2,1-2H3,(H,19,22).
What are the key properties of 3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide?
3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 324.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71990790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).