(1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine

C14H20N2O — CID 170225187

IUPAC(1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine
SMILESC=C/C(N)=C\c1oc(C(CC)CC)nc1C=C
InChIInChI=1S/C14H20N2O/c1-5-10(6-2)14-16-12(8-4)13(17-14)9-11(15)7-3/h7-10H,3-6,15H2,1-2H3/b11-9+
InChIKeyLSAIXFJRDXUNSQ-PKNBQFBNSA-N
MW232.33 g/mol
LogP3.71
Rot. Bonds6

About (1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine

(1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine (PubChem CID 170225187) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine
PubChem CID170225187
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine
SMILESC=C/C(N)=C\c1oc(C(CC)CC)nc1C=C
InChIInChI=1S/C14H20N2O/c1-5-10(6-2)14-16-12(8-4)13(17-14)9-11(15)7-3/h7-10H,3-6,15H2,1-2H3/b11-9+
InChIKeyLSAIXFJRDXUNSQ-PKNBQFBNSA-N
XLogP3.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-tert-butyl-5H-1,3-benzoxazol-5-id-6-yl)acetamide;yttrium
CID 59073098
5-[(Z)-2-ethylpent-1-enyl]-2,4-dimethyl-1,3-oxazole
CID 70309865
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole
CID 89277460
4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole
CID 89345430
5-[(Z)-but-2-en-2-yl]-4-ethenyl-2-methyl-1,3-oxazole
CID 89590902
5-ethenyl-2-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 89901258
5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 90267712
4-Methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole
CID 91514224
4-Ethenyl-5-pent-2-en-3-yl-2-propan-2-yl-1,3-oxazole
CID 91529250
2-methyl-6H-cyclohepta[d][1,3]oxazole
CID 91578935
5-But-1-enyl-4-ethenyl-2-methyl-1,3-oxazole
CID 123144798
5-Ethenyl-2-methyl-4-prop-1-enyl-1,3-oxazole
CID 123449815

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine?
The IUPAC name of (1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine (CID 170225187) is (1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine.
What is the SMILES notation for (1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine?
The canonical SMILES for (1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine is C=C/C(N)=C\c1oc(C(CC)CC)nc1C=C.
What is the InChIKey of (1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine?
The InChIKey is LSAIXFJRDXUNSQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-10(6-2)14-16-12(8-4)13(17-14)9-11(15)7-3/h7-10H,3-6,15H2,1-2H3/b11-9+.
What are the key properties of (1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine?
(1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine has a molecular weight of 232.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine is sourced from PubChem (CID 170225187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).