4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine

C15H20N2O — CID 43157921

IUPAC4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine
SMILESCCCCCc1noc(N)c1-c1ccccc1C
InChIInChI=1S/C15H20N2O/c1-3-4-5-10-13-14(15(16)18-17-13)12-9-7-6-8-11(12)2/h6-9H,3-5,10,16H2,1-2H3
InChIKeyDMIZZALUNMWTPR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.96
Rot. Bonds5

About 4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine

4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine (PubChem CID 43157921) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine
PubChem CID43157921
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine
SMILESCCCCCc1noc(N)c1-c1ccccc1C
InChIInChI=1S/C15H20N2O/c1-3-4-5-10-13-14(15(16)18-17-13)12-9-7-6-8-11(12)2/h6-9H,3-5,10,16H2,1-2H3
InChIKeyDMIZZALUNMWTPR-UHFFFAOYSA-N
XLogP3.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.96
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 4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine (CID 43157921) is 4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine is CCCCCc1noc(N)c1-c1ccccc1C.
What is the InChIKey of 4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine?
The InChIKey is DMIZZALUNMWTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-5-10-13-14(15(16)18-17-13)12-9-7-6-8-11(12)2/h6-9H,3-5,10,16H2,1-2H3.
What are the key properties of 4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine?
4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine has a molecular weight of 244.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-3-pentyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43157921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).