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

C15H20N2O2 — CID 95466695

IUPAC[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
SMILESCc1oc(CN)nc1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)9-18-13-6-4-12(5-7-13)15-11(3)19-14(8-16)17-15/h4-7,10H,8-9,16H2,1-3H3
InChIKeyXJBGUXDYXXZKFI-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.14
Rot. Bonds5

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

[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine (PubChem CID 95466695) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
PubChem CID95466695
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
SMILESCc1oc(CN)nc1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)9-18-13-6-4-12(5-7-13)15-11(3)19-14(8-16)17-15/h4-7,10H,8-9,16H2,1-3H3
InChIKeyXJBGUXDYXXZKFI-UHFFFAOYSA-N
XLogP3.14
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-4-phenyl-1,3-oxazole-2-carboxamide
CID 2739606
5-[(4-Methoxyphenyl)methylamino]-2-methyl-1,3-oxazole-4-carbonitrile
CID 696148
2-(4-Ethoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 1984543
Unii-W6E59kdd9D
CID 9822722
Methyl 3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionate
CID 10522854
3-[[4-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione
CID 10524496
3-[4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionamide
CID 10665557
2-[[4-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide
CID 10763146
(E)-3-fluoro-2-[[4-(4-methyl-1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512022
(Z)-3-fluoro-2-[[4-(4-methyl-1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369031
1-(4,5-Diphenyl-1,3-oxazol-2-yl)methanamine
CID 214449
N-cyclopentyl-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 9550963

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine (CID 95466695) is [5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine is Cc1oc(CN)nc1-c1ccc(OCC(C)C)cc1.
What is the InChIKey of [5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine?
The InChIKey is XJBGUXDYXXZKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)9-18-13-6-4-12(5-7-13)15-11(3)19-14(8-16)17-15/h4-7,10H,8-9,16H2,1-3H3.
What are the key properties of [5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine?
[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 95466695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).