3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide

C17H19N3O3 — CID 142308828

IUPAC3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
SMILESC=C(C)/C=C\C(=C/C)NC(=O)c1c(C)noc1-c1cc(C)on1
InChIInChI=1S/C17H19N3O3/c1-6-13(8-7-10(2)3)18-17(21)15-12(5)19-23-16(15)14-9-11(4)22-20-14/h6-9H,2H2,1,3-5H3,(H,18,21)/b8-7-,13-6+
InChIKeyQWTLCPWSZKPJFQ-ZUKYEBQOSA-N
MW313.36 g/mol
LogP3.71
Rot. Bonds5

About 3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide

3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide (PubChem CID 142308828) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
PubChem CID142308828
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
SMILESC=C(C)/C=C\C(=C/C)NC(=O)c1c(C)noc1-c1cc(C)on1
InChIInChI=1S/C17H19N3O3/c1-6-13(8-7-10(2)3)18-17(21)15-12(5)19-23-16(15)14-9-11(4)22-20-14/h6-9H,2H2,1,3-5H3,(H,18,21)/b8-7-,13-6+
InChIKeyQWTLCPWSZKPJFQ-ZUKYEBQOSA-N
XLogP3.71
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
CID 2744821
N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
CID 6736047
[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate
CID 2744858
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide
CID 155531787
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide
CID 70867849
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-1,2-oxazole
CID 146910981
methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate
CID 2744662
4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide
CID 163580636
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 131400101
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91819244
2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 110865581
ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 144886330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide (CID 142308828) is 3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide is C=C(C)/C=C\C(=C/C)NC(=O)c1c(C)noc1-c1cc(C)on1.
What is the InChIKey of 3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is QWTLCPWSZKPJFQ-ZUKYEBQOSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-6-13(8-7-10(2)3)18-17(21)15-12(5)19-23-16(15)14-9-11(4)22-20-14/h6-9H,2H2,1,3-5H3,(H,18,21)/b8-7-,13-6+.
What are the key properties of 3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide?
3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 142308828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).