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

C18H12ClN5O3 — CID 58247256

IUPACmethyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2Cl)o1
InChIInChI=1S/C18H12ClN5O3/c1-26-18(25)22-11-7-3-2-6-10(11)16-23-24-17(27-16)14-15(19)21-13-9-5-4-8-12(13)20-14/h2-9H,1H3,(H,22,25)
InChIKeyGOUAGDKIQDQSGU-UHFFFAOYSA-N
MW381.78 g/mol
LogP4.18
Rot. Bonds3

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

methyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate (PubChem CID 58247256) has the molecular formula C18H12ClN5O3 and a molecular weight of 381.78 g/mol. Its IUPAC name is methyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate
PubChem CID58247256
Molecular FormulaC18H12ClN5O3
Molecular Weight381.78 g/mol
Exact Mass381.06
IUPAC Namemethyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2Cl)o1
InChIInChI=1S/C18H12ClN5O3/c1-26-18(25)22-11-7-3-2-6-10(11)16-23-24-17(27-16)14-15(19)21-13-9-5-4-8-12(13)20-14/h2-9H,1H3,(H,22,25)
InChIKeyGOUAGDKIQDQSGU-UHFFFAOYSA-N
XLogP4.18
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate?
The IUPAC name of methyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate (CID 58247256) is methyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate is COC(=O)Nc1ccccc1-c1nnc(-c2nc3ccccc3nc2Cl)o1.
What is the InChIKey of methyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate?
The InChIKey is GOUAGDKIQDQSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O3/c1-26-18(25)22-11-7-3-2-6-10(11)16-23-24-17(27-16)14-15(19)21-13-9-5-4-8-12(13)20-14/h2-9H,1H3,(H,22,25).
What are the key properties of methyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate?
methyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate has a molecular weight of 381.78 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate is sourced from PubChem (CID 58247256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).