N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine

C15H20N2O — CID 65240268

IUPACN-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
SMILESCCCc1ccc(-c2oncc2CNCC)cc1
InChIInChI=1S/C15H20N2O/c1-3-5-12-6-8-13(9-7-12)15-14(10-16-4-2)11-17-18-15/h6-9,11,16H,3-5,10H2,1-2H3
InChIKeyDTRIVHZSUHMQPO-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.40
Rot. Bonds6

About N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine

N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine (PubChem CID 65240268) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
PubChem CID65240268
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
SMILESCCCc1ccc(-c2oncc2CNCC)cc1
InChIInChI=1S/C15H20N2O/c1-3-5-12-6-8-13(9-7-12)15-14(10-16-4-2)11-17-18-15/h6-9,11,16H,3-5,10H2,1-2H3
InChIKeyDTRIVHZSUHMQPO-UHFFFAOYSA-N
XLogP3.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65239931
N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65239703
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239812
N-[[5-(2-nitrophenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65240155
2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
CID 65237710
2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine
CID 65239548
N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 22221434
N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 65240105
N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65240224
[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 97032664
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine (CID 65240268) is N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine is CCCc1ccc(-c2oncc2CNCC)cc1.
What is the InChIKey of N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
The InChIKey is DTRIVHZSUHMQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-5-12-6-8-13(9-7-12)15-14(10-16-4-2)11-17-18-15/h6-9,11,16H,3-5,10H2,1-2H3.
What are the key properties of N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine?
N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65240268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).