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

C14H18N2O2 — CID 95457468

IUPAC[4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
SMILESCC(C)COc1ccc(-c2coc(CN)n2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(2)8-17-12-5-3-11(4-6-12)13-9-18-14(7-15)16-13/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyBLJWQVKLUTXPMB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.84
Rot. Bonds5

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

[4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine (PubChem CID 95457468) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
PubChem CID95457468
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
SMILESCC(C)COc1ccc(-c2coc(CN)n2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(2)8-17-12-5-3-11(4-6-12)13-9-18-14(7-15)16-13/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyBLJWQVKLUTXPMB-UHFFFAOYSA-N
XLogP2.84
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95466695
6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
CID 82293784
2-[4-(2-methylpropoxy)phenyl]pyridine
CID 57293788
4-(4-ethoxyphenyl)-1,3-oxazol-2-amine
CID 62065908
[4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847041
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106
[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol
CID 82453206
[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79787202
4-(4-butoxyphenyl)-1,3-oxazol-2-amine
CID 95448867
2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 39177422
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
CID 95450329

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine (CID 95457468) is [4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine is CC(C)COc1ccc(-c2coc(CN)n2)cc1.
What is the InChIKey of [4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine?
The InChIKey is BLJWQVKLUTXPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)8-17-12-5-3-11(4-6-12)13-9-18-14(7-15)16-13/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of [4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine?
[4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 95457468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).