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

C17H15N3O3 — CID 110643709

IUPACbenzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
SMILESCc1noc(-c2cccc(NC(=O)OCc3ccccc3)c2)n1
InChIInChI=1S/C17H15N3O3/c1-12-18-16(23-20-12)14-8-5-9-15(10-14)19-17(21)22-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,19,21)
InChIKeyWKMTWGIDJYHWDX-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.79
Rot. Bonds4

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

benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate (PubChem CID 110643709) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
PubChem CID110643709
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namebenzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
SMILESCc1noc(-c2cccc(NC(=O)OCc3ccccc3)c2)n1
InChIInChI=1S/C17H15N3O3/c1-12-18-16(23-20-12)14-8-5-9-15(10-14)19-17(21)22-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,19,21)
InChIKeyWKMTWGIDJYHWDX-UHFFFAOYSA-N
XLogP3.79
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110418385
2-(4-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 46266992
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
CID 76853740
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608062
3-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266964
3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110418387
benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate
CID 68788391
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110643698
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate (CID 110643709) is benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate is Cc1noc(-c2cccc(NC(=O)OCc3ccccc3)c2)n1.
What is the InChIKey of benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The InChIKey is WKMTWGIDJYHWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12-18-16(23-20-12)14-8-5-9-15(10-14)19-17(21)22-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate has a molecular weight of 309.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate is sourced from PubChem (CID 110643709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).