3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine

C18H26N2O — CID 65187177

IUPAC3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(CCc2cnc(CCCNC(C)C)o2)cc1
InChIInChI=1S/C18H26N2O/c1-14(2)19-12-4-5-18-20-13-17(21-18)11-10-16-8-6-15(3)7-9-16/h6-9,13-14,19H,4-5,10-12H2,1-3H3
InChIKeyJVRBYWRKROJGHZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.70
Rot. Bonds8

About 3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine

3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 65187177) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID65187177
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(CCc2cnc(CCCNC(C)C)o2)cc1
InChIInChI=1S/C18H26N2O/c1-14(2)19-12-4-5-18-20-13-17(21-18)11-10-16-8-6-15(3)7-9-16/h6-9,13-14,19H,4-5,10-12H2,1-3H3
InChIKeyJVRBYWRKROJGHZ-UHFFFAOYSA-N
XLogP3.70
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187329
N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182439
N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183700
3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 112605740
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine
CID 115006501
N-[2-[5-(2-methoxyethyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182920
N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186937
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187422
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 82891430
3-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81324586
N-propan-2-yl-3-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187324

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 65187177) is 3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is Cc1ccc(CCc2cnc(CCCNC(C)C)o2)cc1.
What is the InChIKey of 3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is JVRBYWRKROJGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)19-12-4-5-18-20-13-17(21-18)11-10-16-8-6-15(3)7-9-16/h6-9,13-14,19H,4-5,10-12H2,1-3H3.
What are the key properties of 3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65187177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).