5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine

C16H20N2O — CID 83152949

IUPAC5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C(C)C2CC2)cc1C
InChIInChI=1S/C16H20N2O/c1-9-4-5-13(8-10(9)2)14-15(19-18-16(14)17)11(3)12-6-7-12/h4-5,8,11-12H,6-7H2,1-3H3,(H2,17,18)
InChIKeySSHBOAGOZTWBGJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.05
Rot. Bonds3

About 5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine

5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine (PubChem CID 83152949) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine
PubChem CID83152949
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C(C)C2CC2)cc1C
InChIInChI=1S/C16H20N2O/c1-9-4-5-13(8-10(9)2)14-15(19-18-16(14)17)11(3)12-6-7-12/h4-5,8,11-12H,6-7H2,1-3H3,(H2,17,18)
InChIKeySSHBOAGOZTWBGJ-UHFFFAOYSA-N
XLogP4.05
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine (CID 83152949) is 5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2C(C)C2CC2)cc1C.
What is the InChIKey of 5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine?
The InChIKey is SSHBOAGOZTWBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-9-4-5-13(8-10(9)2)14-15(19-18-16(14)17)11(3)12-6-7-12/h4-5,8,11-12H,6-7H2,1-3H3,(H2,17,18).
What are the key properties of 5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine?
5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine has a molecular weight of 256.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethyl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 83152949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).