1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate

C14H17FN2O3 — CID 13125007

IUPAC1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate
SMILESCC(OC(=O)Nc1cccc(F)c1)C1=NC(C)(C)CO1
InChIInChI=1S/C14H17FN2O3/c1-9(12-17-14(2,3)8-19-12)20-13(18)16-11-6-4-5-10(15)7-11/h4-7,9H,8H2,1-3H3,(H,16,18)
InChIKeyVLEOOYNDPWQKQG-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.97
Rot. Bonds3

About 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate (PubChem CID 13125007) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate
PubChem CID13125007
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate
SMILESCC(OC(=O)Nc1cccc(F)c1)C1=NC(C)(C)CO1
InChIInChI=1S/C14H17FN2O3/c1-9(12-17-14(2,3)8-19-12)20-13(18)16-11-6-4-5-10(15)7-11/h4-7,9H,8H2,1-3H3,(H,16,18)
InChIKeyVLEOOYNDPWQKQG-UHFFFAOYSA-N
XLogP2.97
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate 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

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3,4-dichlorophenyl)carbamate
CID 13124995
[(1R)-1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl] N-(3-fluorophenyl)carbamate
CID 53316688
octan-3-yl N-(3-fluorophenyl)carbamate
CID 174482782
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
CID 174582664
2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
CID 68758194
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
(3R)-N-(3-fluorophenyl)-3-hydroxyoxolane-3-carboxamide
CID 129348699
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 46629233

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate (CID 13125007) is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate is CC(OC(=O)Nc1cccc(F)c1)C1=NC(C)(C)CO1.
What is the InChIKey of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate?
The InChIKey is VLEOOYNDPWQKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9(12-17-14(2,3)8-19-12)20-13(18)16-11-6-4-5-10(15)7-11/h4-7,9H,8H2,1-3H3,(H,16,18).
What are the key properties of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate?
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate has a molecular weight of 280.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 13125007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).