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

C17H15N3O3 — CID 110322766

IUPACphenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
SMILESCc1ccccc1-c1noc(CNC(=O)Oc2ccccc2)n1
InChIInChI=1S/C17H15N3O3/c1-12-7-5-6-10-14(12)16-19-15(23-20-16)11-18-17(21)22-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyYJWSFCICRZTAEY-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.33
Rot. Bonds4

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

phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate (PubChem CID 110322766) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
PubChem CID110322766
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Namephenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
SMILESCc1ccccc1-c1noc(CNC(=O)Oc2ccccc2)n1
InChIInChI=1S/C17H15N3O3/c1-12-7-5-6-10-14(12)16-19-15(23-20-16)11-18-17(21)22-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyYJWSFCICRZTAEY-UHFFFAOYSA-N
XLogP3.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322864
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 17101262
3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6459787
2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 100702296
3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 100750231
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17101265
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
3-(2,6-dichlorophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100604654
N-(1-hydroxypropan-2-yl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110428206
1-(2-chlorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiourea
CID 100761543
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186701
(5R)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95195216

Frequently Asked Questions

What is the IUPAC name of phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The IUPAC name of phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate (CID 110322766) is phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate.
What is the SMILES notation for phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The canonical SMILES for phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate is Cc1ccccc1-c1noc(CNC(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The InChIKey is YJWSFCICRZTAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12-7-5-6-10-14(12)16-19-15(23-20-16)11-18-17(21)22-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate has a molecular weight of 309.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 110322766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).