5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide

C16H19N3O2 — CID 21319359

IUPAC5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(/C=C(\N)c2ccc(C)cc2)c1C(=O)NC
InChIInChI=1S/C16H19N3O2/c1-4-13-15(16(20)18-3)14(21-19-13)9-12(17)11-7-5-10(2)6-8-11/h5-9H,4,17H2,1-3H3,(H,18,20)/b12-9-
InChIKeySDMMSWQJCZHZCO-XFXZXTDPSA-N
MW285.35 g/mol
LogP2.36
Rot. Bonds4

About 5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide

5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide (PubChem CID 21319359) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide
PubChem CID21319359
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(/C=C(\N)c2ccc(C)cc2)c1C(=O)NC
InChIInChI=1S/C16H19N3O2/c1-4-13-15(16(20)18-3)14(21-19-13)9-12(17)11-7-5-10(2)6-8-11/h5-9H,4,17H2,1-3H3,(H,18,20)/b12-9-
InChIKeySDMMSWQJCZHZCO-XFXZXTDPSA-N
XLogP2.36
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide (CID 21319359) is 5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide is CCc1noc(/C=C(\N)c2ccc(C)cc2)c1C(=O)NC.
What is the InChIKey of 5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SDMMSWQJCZHZCO-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-13-15(16(20)18-3)14(21-19-13)9-12(17)11-7-5-10(2)6-8-11/h5-9H,4,17H2,1-3H3,(H,18,20)/b12-9-.
What are the key properties of 5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide?
5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]-3-ethyl-N-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 21319359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).