benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate

C18H19N3O4 — CID 141075179

IUPACbenzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate
SMILESCOC1=NN(c2ccc(NC(=O)OCc3ccccc3)cc2C)CO1
InChIInChI=1S/C18H19N3O4/c1-13-10-15(8-9-16(13)21-12-25-18(20-21)23-2)19-17(22)24-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyWVJVECYHTCUAIG-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.46
Rot. Bonds4

About benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate

benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate (PubChem CID 141075179) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate
PubChem CID141075179
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namebenzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate
SMILESCOC1=NN(c2ccc(NC(=O)OCc3ccccc3)cc2C)CO1
InChIInChI=1S/C18H19N3O4/c1-13-10-15(8-9-16(13)21-12-25-18(20-21)23-2)19-17(22)24-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyWVJVECYHTCUAIG-UHFFFAOYSA-N
XLogP3.46
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
CID 110639583
benzyl N-(3-formyl-4-methylphenyl)carbamate
CID 123875597
benzyl N-(1-methylindazol-5-yl)carbamate
CID 69411375
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
benzyl N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)carbamate
CID 40886862
potassium trifluoro-[2-methyl-4-(phenylmethoxycarbonylamino)phenyl]boranuide
CID 163199251
benzyl N-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
CID 119009610
benzyl N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]carbamate
CID 67225663
benzyl N-(2-oxo-1-propan-2-yl-3,4-dihydroquinolin-6-yl)carbamate
CID 54242778
benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate
CID 11232635
benzyl N-[3-fluoro-4-(7H-1,4-thiazepin-4-yl)phenyl]carbamate
CID 159351447
ethyl 7-[3,3-dimethyl-2-oxo-5-(phenylmethoxycarbonylamino)indol-1-yl]heptanoate
CID 139959841

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate?
The IUPAC name of benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate (CID 141075179) is benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate?
The canonical SMILES for benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate is COC1=NN(c2ccc(NC(=O)OCc3ccccc3)cc2C)CO1.
What is the InChIKey of benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate?
The InChIKey is WVJVECYHTCUAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13-10-15(8-9-16(13)21-12-25-18(20-21)23-2)19-17(22)24-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,22).
What are the key properties of benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate?
benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate has a molecular weight of 341.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(5-methoxy-2H-1,3,4-oxadiazol-3-yl)-3-methylphenyl]carbamate is sourced from PubChem (CID 141075179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).