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

C19H26N2O4 — CID 121344887

IUPACbenzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate
SMILESCCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H26N2O4/c1-5-21(18(22)24-13-15-9-7-6-8-10-15)12-11-16-20-17(14(2)25-16)19(3,4)23/h6-10,23H,5,11-13H2,1-4H3
InChIKeyICPLIQQBVIGCPD-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.41
Rot. Bonds7

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

benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate (PubChem CID 121344887) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate
PubChem CID121344887
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namebenzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate
SMILESCCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H26N2O4/c1-5-21(18(22)24-13-15-9-7-6-8-10-15)12-11-16-20-17(14(2)25-16)19(3,4)23/h6-10,23H,5,11-13H2,1-4H3
InChIKeyICPLIQQBVIGCPD-UHFFFAOYSA-N
XLogP3.41
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate
CID 121315721
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide
CID 145069724
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
benzyl N-(2-amino-2-sulfanylideneethyl)-N-ethylcarbamate
CID 14023637
benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
CID 139796649
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
methyl 2-[3-[ethyl(phenylmethoxycarbonyl)amino]propanoylamino]-3-oxobutanoate
CID 121344890

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate?
The IUPAC name of benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate (CID 121344887) is benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate is CCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate?
The InChIKey is ICPLIQQBVIGCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-5-21(18(22)24-13-15-9-7-6-8-10-15)12-11-16-20-17(14(2)25-16)19(3,4)23/h6-10,23H,5,11-13H2,1-4H3.
What are the key properties of benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate?
benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 121344887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).