1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate

C20H19FN2O3 — CID 22279626

IUPAC1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate
SMILESCc1ccc(-c2onc(C)c2NC(=O)OC(C)c2ccccc2F)cc1
InChIInChI=1S/C20H19FN2O3/c1-12-8-10-15(11-9-12)19-18(13(2)23-26-19)22-20(24)25-14(3)16-6-4-5-7-17(16)21/h4-11,14H,1-3H3,(H,22,24)
InChIKeyYRFNHHMYGXFFMF-UHFFFAOYSA-N
MW354.38 g/mol
LogP5.41
Rot. Bonds4

About 1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate

1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate (PubChem CID 22279626) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Name1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate
PubChem CID22279626
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate
SMILESCc1ccc(-c2onc(C)c2NC(=O)OC(C)c2ccccc2F)cc1
InChIInChI=1S/C20H19FN2O3/c1-12-8-10-15(11-9-12)19-18(13(2)23-26-19)22-20(24)25-14(3)16-6-4-5-7-17(16)21/h4-11,14H,1-3H3,(H,22,24)
InChIKeyYRFNHHMYGXFFMF-UHFFFAOYSA-N
XLogP5.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]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

Bms-986020
CID 49792850
3-(((4-(4-(((1-(2-Chlorophenyl)ethoxy)carbonyl)amino)-3-methyl-5-isoxazolyl)phenyl)methyl)thio)propanoic acid
CID 10367662
2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
CID 46213949
AM-966
CID 46240292
(5-phenyl-3-isoxazolyl)methyl N-(4-methylphenyl)carbamate
CID 1481096
2-Chloro-6-fluorobenzyl (3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl)carbamate
CID 2804997
3-(4-(4-((1-(2-Chlorophenyl)ethoxy)carbonylamino)-3-methyl-5-isoxazolyl)benzylsulfanyl)propanoic acid methyl ester
CID 9913405
(2-chloro-6-fluorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-4-yl]carbamate
CID 25138309
(2-chlorophenyl)methyl N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 25204469
(2-chloro-6-fluorophenyl)methyl N-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 25204533
2-Chloro-6-fluorobenzyl (3-(2,6-dimethylphenyl)-5-methylisoxazol-4-yl)carbamate
CID 25204604
1-phenylethyl N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamate
CID 44454369

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate?
The IUPAC name of 1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate (CID 22279626) is 1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for 1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for 1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate is Cc1ccc(-c2onc(C)c2NC(=O)OC(C)c2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate?
The InChIKey is YRFNHHMYGXFFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12-8-10-15(11-9-12)19-18(13(2)23-26-19)22-20(24)25-14(3)16-6-4-5-7-17(16)21/h4-11,14H,1-3H3,(H,22,24).
What are the key properties of 1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate?
1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate has a molecular weight of 354.38 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)ethyl N-[3-methyl-5-(4-methylphenyl)-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 22279626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).