N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine

C19H28N2O — CID 46219502

IUPACN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
SMILESCCCCc1ccc(-c2nc(CNC(C)CCC)co2)cc1
InChIInChI=1S/C19H28N2O/c1-4-6-8-16-9-11-17(12-10-16)19-21-18(14-22-19)13-20-15(3)7-5-2/h9-12,14-15,20H,4-8,13H2,1-3H3
InChIKeyNJIOXHWJLCULQQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.96
Rot. Bonds9

About N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine

N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine (PubChem CID 46219502) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
PubChem CID46219502
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
SMILESCCCCc1ccc(-c2nc(CNC(C)CCC)co2)cc1
InChIInChI=1S/C19H28N2O/c1-4-6-8-16-9-11-17(12-10-16)19-21-18(14-22-19)13-20-15(3)7-5-2/h9-12,14-15,20H,4-8,13H2,1-3H3
InChIKeyNJIOXHWJLCULQQ-UHFFFAOYSA-N
XLogP4.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine?
The IUPAC name of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine (CID 46219502) is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine.
What is the SMILES notation for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine?
The canonical SMILES for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine is CCCCc1ccc(-c2nc(CNC(C)CCC)co2)cc1.
What is the InChIKey of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine?
The InChIKey is NJIOXHWJLCULQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-4-6-8-16-9-11-17(12-10-16)19-21-18(14-22-19)13-20-15(3)7-5-2/h9-12,14-15,20H,4-8,13H2,1-3H3.
What are the key properties of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine?
N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine has a molecular weight of 300.45 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine is sourced from PubChem (CID 46219502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).