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

C21H22N2O4 — CID 110415278

IUPACbenzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate
SMILESCOc1ccc(-c2nc(CCNC(=O)OCc3ccccc3)c(C)o2)cc1
InChIInChI=1S/C21H22N2O4/c1-15-19(23-20(27-15)17-8-10-18(25-2)11-9-17)12-13-22-21(24)26-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyRBQZLZPHNHYOPZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.13
Rot. Bonds7

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

benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate (PubChem CID 110415278) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate
PubChem CID110415278
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namebenzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate
SMILESCOc1ccc(-c2nc(CCNC(=O)OCc3ccccc3)c(C)o2)cc1
InChIInChI=1S/C21H22N2O4/c1-15-19(23-20(27-15)17-8-10-18(25-2)11-9-17)12-13-22-21(24)26-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyRBQZLZPHNHYOPZ-UHFFFAOYSA-N
XLogP4.13
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
2-chloro-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641199
2,6-dimethoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641191
3-methoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415245
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide
CID 110641185
3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146122787
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide
CID 110641153
1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20859767
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide
CID 20916598
benzyl N-[(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]carbamate
CID 68883788
4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110414959

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate (CID 110415278) is benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate is COc1ccc(-c2nc(CCNC(=O)OCc3ccccc3)c(C)o2)cc1.
What is the InChIKey of benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate?
The InChIKey is RBQZLZPHNHYOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-15-19(23-20(27-15)17-8-10-18(25-2)11-9-17)12-13-22-21(24)26-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,22,24).
What are the key properties of benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate?
benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate has a molecular weight of 366.42 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 110415278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).