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

C16H22N2O2 — CID 75483118

IUPAC1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
SMILESCOc1ccc(C(NCc2ncc(C)o2)C(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)16(13-5-7-14(19-4)8-6-13)18-10-15-17-9-12(3)20-15/h5-9,11,16,18H,10H2,1-4H3
InChIKeyRMNSGEWMJBBJLB-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.48
Rot. Bonds6

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

1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine (PubChem CID 75483118) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
PubChem CID75483118
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
SMILESCOc1ccc(C(NCc2ncc(C)o2)C(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)16(13-5-7-14(19-4)8-6-13)18-10-15-17-9-12(3)20-15/h5-9,11,16,18H,10H2,1-4H3
InChIKeyRMNSGEWMJBBJLB-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154
5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol
CID 106370137
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 103913010
(1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97353561
N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 113350582
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 106370039
(1S)-1-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 52765671
1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 122134764
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103912999
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 103917075

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine (CID 75483118) is 1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine is COc1ccc(C(NCc2ncc(C)o2)C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The InChIKey is RMNSGEWMJBBJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)16(13-5-7-14(19-4)8-6-13)18-10-15-17-9-12(3)20-15/h5-9,11,16,18H,10H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 75483118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).