5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide

C14H19N3O3 — CID 23733314

IUPAC5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESC=CCN(Cc1cc(C(=O)NCC)no1)C(=O)C1CC1
InChIInChI=1S/C14H19N3O3/c1-3-7-17(14(19)10-5-6-10)9-11-8-12(16-20-11)13(18)15-4-2/h3,8,10H,1,4-7,9H2,2H3,(H,15,18)
InChIKeyNXZVVLTWYMMNSI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.35
Rot. Bonds7

About 5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide

5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 23733314) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
PubChem CID23733314
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESC=CCN(Cc1cc(C(=O)NCC)no1)C(=O)C1CC1
InChIInChI=1S/C14H19N3O3/c1-3-7-17(14(19)10-5-6-10)9-11-8-12(16-20-11)13(18)15-4-2/h3,8,10H,1,4-7,9H2,2H3,(H,15,18)
InChIKeyNXZVVLTWYMMNSI-UHFFFAOYSA-N
XLogP1.35
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[cyclopentanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23938870
5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23734689
5-[[cyclohexanecarbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23792491
5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23736208
5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23741982
5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23799293
5-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23768938
5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23934866
5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23996073
5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23741978
1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide
CID 90511554
N-[(3-chlorophenyl)methyl]-5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23736232

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide (CID 23733314) is 5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide is C=CCN(Cc1cc(C(=O)NCC)no1)C(=O)C1CC1.
What is the InChIKey of 5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is NXZVVLTWYMMNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-7-17(14(19)10-5-6-10)9-11-8-12(16-20-11)13(18)15-4-2/h3,8,10H,1,4-7,9H2,2H3,(H,15,18).
What are the key properties of 5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23733314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).