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

C15H21N3O3 — CID 60880953

IUPACN-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCOc1ccc(CNC(C)C)cc1OCc1nnc(C)o1
InChIInChI=1S/C15H21N3O3/c1-10(2)16-8-12-5-6-13(19-4)14(7-12)20-9-15-18-17-11(3)21-15/h5-7,10,16H,8-9H2,1-4H3
InChIKeyQGKNGFJBOUKVQJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds7

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

N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 60880953) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID60880953
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCOc1ccc(CNC(C)C)cc1OCc1nnc(C)o1
InChIInChI=1S/C15H21N3O3/c1-10(2)16-8-12-5-6-13(19-4)14(7-12)20-9-15-18-17-11(3)21-15/h5-7,10,16H,8-9H2,1-4H3
InChIKeyQGKNGFJBOUKVQJ-UHFFFAOYSA-N
XLogP2.46
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
CID 60908029
N-[[3-(2-bromoprop-2-enoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 60881885
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine
CID 60907255
N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 39356684
N-[[3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60883561
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392
2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole
CID 91508978
N-[[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 61481181
2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 110651537
[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
CID 60887910
2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 110655539

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine (CID 60880953) is N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine is COc1ccc(CNC(C)C)cc1OCc1nnc(C)o1.
What is the InChIKey of N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is QGKNGFJBOUKVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)16-8-12-5-6-13(19-4)14(7-12)20-9-15-18-17-11(3)21-15/h5-7,10,16H,8-9H2,1-4H3.
What are the key properties of N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 291.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60880953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).