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

C17H15N3O3 — CID 173232120

IUPACbenzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate
SMILESO=C(N[C@H](c1ccccc1)c1ncno1)OCc1ccccc1
InChIInChI=1S/C17H15N3O3/c21-17(22-11-13-7-3-1-4-8-13)20-15(16-18-12-19-23-16)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,20,21)/t15-/m1/s1
InChIKeyMIAMIBXXWPGXIP-OAHLLOKOSA-N
MW309.33 g/mol
LogP3.09
Rot. Bonds5

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

benzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate (PubChem CID 173232120) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is benzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate
PubChem CID173232120
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namebenzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate
SMILESO=C(N[C@H](c1ccccc1)c1ncno1)OCc1ccccc1
InChIInChI=1S/C17H15N3O3/c21-17(22-11-13-7-3-1-4-8-13)20-15(16-18-12-19-23-16)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,20,21)/t15-/m1/s1
InChIKeyMIAMIBXXWPGXIP-OAHLLOKOSA-N
XLogP3.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate?
The IUPAC name of benzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate (CID 173232120) is benzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate is O=C(N[C@H](c1ccccc1)c1ncno1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate?
The InChIKey is MIAMIBXXWPGXIP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-17(22-11-13-7-3-1-4-8-13)20-15(16-18-12-19-23-16)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,20,21)/t15-/m1/s1.
What are the key properties of benzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate?
benzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate has a molecular weight of 309.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(R)-1,2,4-oxadiazol-5-yl(phenyl)methyl]carbamate is sourced from PubChem (CID 173232120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).