[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate

C9H6ClN3O3 — CID 155267641

IUPAC[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2nnco2)c(Cl)c1
InChIInChI=1S/C9H6ClN3O3/c10-7-3-5(16-9(11)14)1-2-6(7)8-13-12-4-15-8/h1-4H,(H2,11,14)
InChIKeyCOWCFQWFUSOIOQ-UHFFFAOYSA-N
MW239.62 g/mol
LogP1.85
Rot. Bonds2

About [3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate

[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate (PubChem CID 155267641) has the molecular formula C9H6ClN3O3 and a molecular weight of 239.62 g/mol. Its IUPAC name is [3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate.

Molecular Properties

Compound Name[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate
PubChem CID155267641
Molecular FormulaC9H6ClN3O3
Molecular Weight239.62 g/mol
Exact Mass239.01
IUPAC Name[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2nnco2)c(Cl)c1
InChIInChI=1S/C9H6ClN3O3/c10-7-3-5(16-9(11)14)1-2-6(7)8-13-12-4-15-8/h1-4H,(H2,11,14)
InChIKeyCOWCFQWFUSOIOQ-UHFFFAOYSA-N
XLogP1.85
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate?
The IUPAC name of [3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate (CID 155267641) is [3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate.
What is the SMILES notation for [3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate?
The canonical SMILES for [3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate is NC(=O)Oc1ccc(-c2nnco2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate?
The InChIKey is COWCFQWFUSOIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O3/c10-7-3-5(16-9(11)14)1-2-6(7)8-13-12-4-15-8/h1-4H,(H2,11,14).
What are the key properties of [3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate?
[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate has a molecular weight of 239.62 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate is sourced from PubChem (CID 155267641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).