5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide

C17H23N3O4 — CID 166424579

IUPAC5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESC=CC(=O)N1CC(C(C)NC(=O)c2cc(C3CCOCC3)on2)C1
InChIInChI=1S/C17H23N3O4/c1-3-16(21)20-9-13(10-20)11(2)18-17(22)14-8-15(24-19-14)12-4-6-23-7-5-12/h3,8,11-13H,1,4-7,9-10H2,2H3,(H,18,22)
InChIKeyLYAFVNLHLFHUAP-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.33
Rot. Bonds5

About 5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide

5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 166424579) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID166424579
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESC=CC(=O)N1CC(C(C)NC(=O)c2cc(C3CCOCC3)on2)C1
InChIInChI=1S/C17H23N3O4/c1-3-16(21)20-9-13(10-20)11(2)18-17(22)14-8-15(24-19-14)12-4-6-23-7-5-12/h3,8,11-13H,1,4-7,9-10H2,2H3,(H,18,22)
InChIKeyLYAFVNLHLFHUAP-UHFFFAOYSA-N
XLogP1.33
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide
CID 166424568
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124862687
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 79252020
5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide
CID 166424580
5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide
CID 95129634
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 43469491
N-[1-[1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188112
5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide
CID 114211248
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780615
ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate
CID 154791593
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386679

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 166424579) is 5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide is C=CC(=O)N1CC(C(C)NC(=O)c2cc(C3CCOCC3)on2)C1.
What is the InChIKey of 5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LYAFVNLHLFHUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-16(21)20-9-13(10-20)11(2)18-17(22)14-8-15(24-19-14)12-4-6-23-7-5-12/h3,8,11-13H,1,4-7,9-10H2,2H3,(H,18,22).
What are the key properties of 5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166424579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).