[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine

C17H16N2O2 — CID 82360062

IUPAC[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
SMILESCOc1ccc(-c2ccc(-c3cnc(CN)o3)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-20-15-8-6-13(7-9-15)12-2-4-14(5-3-12)16-11-19-17(10-18)21-16/h2-9,11H,10,18H2,1H3
InChIKeyMCTJSPHGMWREBO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.48
Rot. Bonds4

About [5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine

[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine (PubChem CID 82360062) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
PubChem CID82360062
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
SMILESCOc1ccc(-c2ccc(-c3cnc(CN)o3)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-20-15-8-6-13(7-9-15)12-2-4-14(5-3-12)16-11-19-17(10-18)21-16/h2-9,11H,10,18H2,1H3
InChIKeyMCTJSPHGMWREBO-UHFFFAOYSA-N
XLogP3.48
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179378
[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360064
N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905
2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
CID 24961512
[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179787
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592
2-bromo-5-(4-methoxyphenyl)-1,3-oxazole
CID 117259601
[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine
CID 113292812
4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine
CID 172692203
[5-(3,4-diethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179555
3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911544
[5-(4-hexylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360063

Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine (CID 82360062) is [5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine is COc1ccc(-c2ccc(-c3cnc(CN)o3)cc2)cc1.
What is the InChIKey of [5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine?
The InChIKey is MCTJSPHGMWREBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-15-8-6-13(7-9-15)12-2-4-14(5-3-12)16-11-19-17(10-18)21-16/h2-9,11H,10,18H2,1H3.
What are the key properties of [5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine?
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine has a molecular weight of 280.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82360062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).