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

C16H22N2O2 — CID 170864865

IUPAC1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1Cc1c(C)noc1C
InChIInChI=1S/C16H22N2O2/c1-10(17)7-13-5-6-16(19-4)14(8-13)9-15-11(2)18-20-12(15)3/h5-6,8,10H,7,9,17H2,1-4H3
InChIKeyNFGGBZDHQKWIDE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.78
Rot. Bonds5

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

1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine (PubChem CID 170864865) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine
PubChem CID170864865
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1Cc1c(C)noc1C
InChIInChI=1S/C16H22N2O2/c1-10(17)7-13-5-6-16(19-4)14(8-13)9-15-11(2)18-20-12(15)3/h5-6,8,10H,7,9,17H2,1-4H3
InChIKeyNFGGBZDHQKWIDE-UHFFFAOYSA-N
XLogP2.78
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)cyclopentan-1-amine
CID 46955154
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole
CID 168554839
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]methanamine
CID 60879250
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7766233
2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 82140382
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958074
1-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]butan-2-amine
CID 63052191
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782952
1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 112724642
2-[1-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084616
N-(3-benzyl-4-methoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 27038879

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine (CID 170864865) is 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine is COc1ccc(CC(C)N)cc1Cc1c(C)noc1C.
What is the InChIKey of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine?
The InChIKey is NFGGBZDHQKWIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(17)7-13-5-6-16(19-4)14(8-13)9-15-11(2)18-20-12(15)3/h5-6,8,10H,7,9,17H2,1-4H3.
What are the key properties of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine?
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine has a molecular weight of 274.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 170864865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).