(4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate

C17H14ClN3O5 — CID 22620315

IUPAC(4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate
SMILESCOc1nn(-c2ccc(NC(=O)OCc3ccc(Cl)cc3)cc2)c(=O)o1
InChIInChI=1S/C17H14ClN3O5/c1-24-16-20-21(17(23)26-16)14-8-6-13(7-9-14)19-15(22)25-10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyBMYRPSTYJKIUHG-UHFFFAOYSA-N
MW375.77 g/mol
LogP3.24
Rot. Bonds5

About (4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate

(4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate (PubChem CID 22620315) has the molecular formula C17H14ClN3O5 and a molecular weight of 375.77 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate
PubChem CID22620315
Molecular FormulaC17H14ClN3O5
Molecular Weight375.77 g/mol
Exact Mass375.06
IUPAC Name(4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate
SMILESCOc1nn(-c2ccc(NC(=O)OCc3ccc(Cl)cc3)cc2)c(=O)o1
InChIInChI=1S/C17H14ClN3O5/c1-24-16-20-21(17(23)26-16)14-8-6-13(7-9-14)19-15(22)25-10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyBMYRPSTYJKIUHG-UHFFFAOYSA-N
XLogP3.24
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate (CID 22620315) is (4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate is COc1nn(-c2ccc(NC(=O)OCc3ccc(Cl)cc3)cc2)c(=O)o1.
What is the InChIKey of (4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate?
The InChIKey is BMYRPSTYJKIUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O5/c1-24-16-20-21(17(23)26-16)14-8-6-13(7-9-14)19-15(22)25-10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of (4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate?
(4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate has a molecular weight of 375.77 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]carbamate is sourced from PubChem (CID 22620315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).