2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide

C21H21N3O3 — CID 154875331

IUPAC2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide
SMILESC=CC(=O)NCC(NC(=O)c1coc(CC)n1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21N3O3/c1-3-19(25)22-12-17(24-21(26)18-13-27-20(4-2)23-18)16-10-9-14-7-5-6-8-15(14)11-16/h3,5-11,13,17H,1,4,12H2,2H3,(H,22,25)(H,24,26)
InChIKeyLSCWYPLYHIRCNS-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.16
Rot. Bonds7

About 2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide

2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 154875331) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID154875331
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide
SMILESC=CC(=O)NCC(NC(=O)c1coc(CC)n1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21N3O3/c1-3-19(25)22-12-17(24-21(26)18-13-27-20(4-2)23-18)16-10-9-14-7-5-6-8-15(14)11-16/h3,5-11,13,17H,1,4,12H2,2H3,(H,22,25)(H,24,26)
InChIKeyLSCWYPLYHIRCNS-UHFFFAOYSA-N
XLogP3.16
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide (CID 154875331) is 2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide is C=CC(=O)NCC(NC(=O)c1coc(CC)n1)c1ccc2ccccc2c1.
What is the InChIKey of 2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is LSCWYPLYHIRCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-19(25)22-12-17(24-21(26)18-13-27-20(4-2)23-18)16-10-9-14-7-5-6-8-15(14)11-16/h3,5-11,13,17H,1,4,12H2,2H3,(H,22,25)(H,24,26).
What are the key properties of 2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide?
2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-naphthalen-2-yl-2-(prop-2-enoylamino)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 154875331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).