1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine

C19H28N2O2 — CID 126816583

IUPAC1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine
SMILESCCC(c1cccc(OC)c1)N(C)Cc1oc(C(C)C)nc1C
InChIInChI=1S/C19H28N2O2/c1-7-17(15-9-8-10-16(11-15)22-6)21(5)12-18-14(4)20-19(23-18)13(2)3/h8-11,13,17H,7,12H2,1-6H3
InChIKeyFSHXEKKLJUUORW-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.70
Rot. Bonds7

About 1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine

1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine (PubChem CID 126816583) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine
PubChem CID126816583
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine
SMILESCCC(c1cccc(OC)c1)N(C)Cc1oc(C(C)C)nc1C
InChIInChI=1S/C19H28N2O2/c1-7-17(15-9-8-10-16(11-15)22-6)21(5)12-18-14(4)20-19(23-18)13(2)3/h8-11,13,17H,7,12H2,1-6H3
InChIKeyFSHXEKKLJUUORW-UHFFFAOYSA-N
XLogP4.70
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine with MolForge

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Related Compounds

2-[4-[[1-(3-methoxyphenyl)propyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 154758197
N'-butan-2-yl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103729552
[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
CID 132551583
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
2-isocyanato-1-(3-methoxyphenyl)-N,N-dimethylethanamine
CID 63109938
(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
CID 78358059
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415124
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 61453536
(1R)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylethanamine
CID 97002571
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine (CID 126816583) is 1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine is CCC(c1cccc(OC)c1)N(C)Cc1oc(C(C)C)nc1C.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine?
The InChIKey is FSHXEKKLJUUORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-7-17(15-9-8-10-16(11-15)22-6)21(5)12-18-14(4)20-19(23-18)13(2)3/h8-11,13,17H,7,12H2,1-6H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine?
1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine has a molecular weight of 316.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 126816583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).