N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine

C16H23N3O2 — CID 63063220

IUPACN-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(COc2ccc(CNC(C)(C)C)cc2)no1
InChIInChI=1S/C16H23N3O2/c1-5-15-18-14(19-21-15)11-20-13-8-6-12(7-9-13)10-17-16(2,3)4/h6-9,17H,5,10-11H2,1-4H3
InChIKeyNBOQINZRRRLVBF-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.10
Rot. Bonds6

About N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine

N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63063220) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63063220
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(COc2ccc(CNC(C)(C)C)cc2)no1
InChIInChI=1S/C16H23N3O2/c1-5-15-18-14(19-21-15)11-20-13-8-6-12(7-9-13)10-17-16(2,3)4/h6-9,17H,5,10-11H2,1-4H3
InChIKeyNBOQINZRRRLVBF-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79783462
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63063586
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66406190
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
CID 119187712
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 52734301
N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-5-ethyl-1,2,4-oxadiazole
CID 102674600
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 61497343

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (CID 63063220) is N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is CCc1nc(COc2ccc(CNC(C)(C)C)cc2)no1.
What is the InChIKey of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is NBOQINZRRRLVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-15-18-14(19-21-15)11-20-13-8-6-12(7-9-13)10-17-16(2,3)4/h6-9,17H,5,10-11H2,1-4H3.
What are the key properties of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63063220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).