[2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate

C17H14ClN3O5 — CID 67565558

IUPAC[2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate
SMILESCOc1cc(OC(=O)NCc2ccccc2)c(Cl)cc1-c1n[nH]c(=O)o1
InChIInChI=1S/C17H14ClN3O5/c1-24-13-8-14(12(18)7-11(13)15-20-21-17(23)26-15)25-16(22)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,19,22)(H,21,23)
InChIKeyRGGQFMFHBCFXNS-UHFFFAOYSA-N
MW375.77 g/mol
LogP2.98
Rot. Bonds5

About [2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate

[2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate (PubChem CID 67565558) has the molecular formula C17H14ClN3O5 and a molecular weight of 375.77 g/mol. Its IUPAC name is [2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate.

Molecular Properties

Compound Name[2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate
PubChem CID67565558
Molecular FormulaC17H14ClN3O5
Molecular Weight375.77 g/mol
Exact Mass375.06
IUPAC Name[2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate
SMILESCOc1cc(OC(=O)NCc2ccccc2)c(Cl)cc1-c1n[nH]c(=O)o1
InChIInChI=1S/C17H14ClN3O5/c1-24-13-8-14(12(18)7-11(13)15-20-21-17(23)26-15)25-16(22)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,19,22)(H,21,23)
InChIKeyRGGQFMFHBCFXNS-UHFFFAOYSA-N
XLogP2.98
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.77
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate?
The IUPAC name of [2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate (CID 67565558) is [2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate.
What is the SMILES notation for [2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate?
The canonical SMILES for [2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate is COc1cc(OC(=O)NCc2ccccc2)c(Cl)cc1-c1n[nH]c(=O)o1.
What is the InChIKey of [2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate?
The InChIKey is RGGQFMFHBCFXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O5/c1-24-13-8-14(12(18)7-11(13)15-20-21-17(23)26-15)25-16(22)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,19,22)(H,21,23).
What are the key properties of [2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate?
[2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate has a molecular weight of 375.77 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-methoxy-4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl] N-benzylcarbamate is sourced from PubChem (CID 67565558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).