4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine

C14H18N2O — CID 66199671

IUPAC4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2CC(C)C)cc1
InChIInChI=1S/C14H18N2O/c1-9(2)8-12-13(14(15)16-17-12)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H2,15,16)
InChIKeyOJWAHJDVCGEKBP-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.43
Rot. Bonds3

About 4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine

4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 66199671) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID66199671
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2CC(C)C)cc1
InChIInChI=1S/C14H18N2O/c1-9(2)8-12-13(14(15)16-17-12)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H2,15,16)
InChIKeyOJWAHJDVCGEKBP-UHFFFAOYSA-N
XLogP3.43
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine (CID 66199671) is 4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2CC(C)C)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is OJWAHJDVCGEKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)8-12-13(14(15)16-17-12)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H2,15,16).
What are the key properties of 4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine?
4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 230.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).