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

C16H23N3O2 — CID 63055724

IUPACN-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCc1nnc(COc2cccc(CNCC(C)C)c2)o1
InChIInChI=1S/C16H23N3O2/c1-4-15-18-19-16(21-15)11-20-14-7-5-6-13(8-14)10-17-9-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyRLIRRLZOWYBEIX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.96
Rot. Bonds8

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

N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63055724) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63055724
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCc1nnc(COc2cccc(CNCC(C)C)c2)o1
InChIInChI=1S/C16H23N3O2/c1-4-15-18-19-16(21-15)11-20-14-7-5-6-13(8-14)10-17-9-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyRLIRRLZOWYBEIX-UHFFFAOYSA-N
XLogP2.96
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78937299
N-[[3-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63486876
2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63497350
N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63486878
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 114492020
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890981
[3-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate
CID 3321893
1-methoxy-3-[3-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 63928987
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (CID 63055724) is N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is CCc1nnc(COc2cccc(CNCC(C)C)c2)o1.
What is the InChIKey of N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RLIRRLZOWYBEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-15-18-19-16(21-15)11-20-14-7-5-6-13(8-14)10-17-9-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3.
What are the key properties of N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63055724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).