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

C16H22N2O2 — CID 103912826

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1nc(C)c(C)o1)c1ccc(OC)cc1
InChIInChI=1S/C16H22N2O2/c1-5-15(13-6-8-14(19-4)9-7-13)17-10-16-18-11(2)12(3)20-16/h6-9,15,17H,5,10H2,1-4H3
InChIKeyLHGCEKOPRLWECJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.54
Rot. Bonds6

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 103912826) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
PubChem CID103912826
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1nc(C)c(C)o1)c1ccc(OC)cc1
InChIInChI=1S/C16H22N2O2/c1-5-15(13-6-8-14(19-4)9-7-13)17-10-16-18-11(2)12(3)20-16/h6-9,15,17H,5,10H2,1-4H3
InChIKeyLHGCEKOPRLWECJ-UHFFFAOYSA-N
XLogP3.54
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 106370255
1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
1-(2,4-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913157
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine
CID 61469630
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103787067
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62748534
5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
CID 115651531
1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54965551
1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 62121628

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine (CID 103912826) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine is CCC(NCc1nc(C)c(C)o1)c1ccc(OC)cc1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is LHGCEKOPRLWECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-15(13-6-8-14(19-4)9-7-13)17-10-16-18-11(2)12(3)20-16/h6-9,15,17H,5,10H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 103912826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).