N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine

C14H18N2O — CID 65183399

IUPACN-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(-c2cccc(C)c2)o1
InChIInChI=1S/C14H18N2O/c1-3-15-8-7-14-16-10-13(17-14)12-6-4-5-11(2)9-12/h4-6,9-10,15H,3,7-8H2,1-2H3
InChIKeyYAHRPWPBAJXRKJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.80
Rot. Bonds5

About N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine

N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65183399) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65183399
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(-c2cccc(C)c2)o1
InChIInChI=1S/C14H18N2O/c1-3-15-8-7-14-16-10-13(17-14)12-6-4-5-11(2)9-12/h4-6,9-10,15H,3,7-8H2,1-2H3
InChIKeyYAHRPWPBAJXRKJ-UHFFFAOYSA-N
XLogP2.80
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine (CID 65183399) is N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine is CCNCCc1ncc(-c2cccc(C)c2)o1.
What is the InChIKey of N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is YAHRPWPBAJXRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-15-8-7-14-16-10-13(17-14)12-6-4-5-11(2)9-12/h4-6,9-10,15H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65183399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).