N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline

C16H23N3O2 — CID 43701514

IUPACN-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCOC(C)(C)CC(C)Nc1cc(-c2nnco2)ccc1C
InChIInChI=1S/C16H23N3O2/c1-11-6-7-13(15-19-17-10-21-15)8-14(11)18-12(2)9-16(3,4)20-5/h6-8,10,12,18H,9H2,1-5H3
InChIKeyCHVCRQPMOAPISK-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.66
Rot. Bonds6

About N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline

N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43701514) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43701514
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCOC(C)(C)CC(C)Nc1cc(-c2nnco2)ccc1C
InChIInChI=1S/C16H23N3O2/c1-11-6-7-13(15-19-17-10-21-15)8-14(11)18-12(2)9-16(3,4)20-5/h6-8,10,12,18H,9H2,1-5H3
InChIKeyCHVCRQPMOAPISK-UHFFFAOYSA-N
XLogP3.66
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (CID 43701514) is N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is COC(C)(C)CC(C)Nc1cc(-c2nnco2)ccc1C.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is CHVCRQPMOAPISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-6-7-13(15-19-17-10-21-15)8-14(11)18-12(2)9-16(3,4)20-5/h6-8,10,12,18H,9H2,1-5H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 289.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43701514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).