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

C15H21N3O3 — CID 63057278

IUPACN-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(CNCC(C)C)c1OCc1ncon1
InChIInChI=1S/C15H21N3O3/c1-11(2)7-16-8-12-5-4-6-13(19-3)15(12)20-9-14-17-10-21-18-14/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyRDHRDJMMELBGPV-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.40
Rot. Bonds8

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

N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63057278) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63057278
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(CNCC(C)C)c1OCc1ncon1
InChIInChI=1S/C15H21N3O3/c1-11(2)7-16-8-12-5-4-6-13(19-3)15(12)20-9-14-17-10-21-18-14/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyRDHRDJMMELBGPV-UHFFFAOYSA-N
XLogP2.40
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115955286
1-(2,3-dimethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182988
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291289
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4716967
N-[[2-(3-chloroprop-2-enoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 76983212
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4716969
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[(2-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63056606
N-[[3-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61390668

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 63057278) is N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine is COc1cccc(CNCC(C)C)c1OCc1ncon1.
What is the InChIKey of N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RDHRDJMMELBGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(2)7-16-8-12-5-4-6-13(19-3)15(12)20-9-14-17-10-21-18-14/h4-6,10-11,16H,7-9H2,1-3H3.
What are the key properties of N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.35 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63057278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).