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

C16H22N2O2 — CID 56664992

IUPACN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1coc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C16H22N2O2/c1-4-5-10-18(2)11-14-12-20-16(17-14)13-6-8-15(19-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyWZQWSCJPQQSTJM-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.58
Rot. Bonds7

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

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 56664992) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID56664992
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1coc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C16H22N2O2/c1-4-5-10-18(2)11-14-12-20-16(17-14)13-6-8-15(19-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyWZQWSCJPQQSTJM-UHFFFAOYSA-N
XLogP3.58
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336384
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56662391
2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 109398384
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56672763
N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 55869520
N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687553
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 128984497
N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine
CID 56683848
N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline
CID 56665812
N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 54770947

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine (CID 56664992) is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1coc(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is WZQWSCJPQQSTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-5-10-18(2)11-14-12-20-16(17-14)13-6-8-15(19-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine?
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 56664992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).