N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide

C12H14N2O2 — CID 89214762

IUPACN-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide
SMILESC=C/C(=C\C=C(/C)c1ncc(C)o1)NC=O
InChIInChI=1S/C12H14N2O2/c1-4-11(14-8-15)6-5-9(2)12-13-7-10(3)16-12/h4-8H,1H2,2-3H3,(H,14,15)/b9-5+,11-6+
InChIKeyZYTLTHDPMHZYAP-MPEOSAONSA-N
MW218.26 g/mol
LogP2.20
Rot. Bonds5

About N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide

N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide (PubChem CID 89214762) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide.

Molecular Properties

Compound NameN-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide
PubChem CID89214762
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide
SMILESC=C/C(=C\C=C(/C)c1ncc(C)o1)NC=O
InChIInChI=1S/C12H14N2O2/c1-4-11(14-8-15)6-5-9(2)12-13-7-10(3)16-12/h4-8H,1H2,2-3H3,(H,14,15)/b9-5+,11-6+
InChIKeyZYTLTHDPMHZYAP-MPEOSAONSA-N
XLogP2.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide?
The IUPAC name of N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide (CID 89214762) is N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide.
What is the SMILES notation for N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide?
The canonical SMILES for N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide is C=C/C(=C\C=C(/C)c1ncc(C)o1)NC=O.
What is the InChIKey of N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide?
The InChIKey is ZYTLTHDPMHZYAP-MPEOSAONSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-4-11(14-8-15)6-5-9(2)12-13-7-10(3)16-12/h4-8H,1H2,2-3H3,(H,14,15)/b9-5+,11-6+.
What are the key properties of N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide?
N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide has a molecular weight of 218.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6-(5-methyl-1,3-oxazol-2-yl)hepta-1,3,5-trien-3-yl]formamide is sourced from PubChem (CID 89214762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).