1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide

C15H19N3O3 — CID 90511554

IUPAC1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C15H19N3O3/c1-4-6-17(7-5-2)14(19)12-9-18(10-12)15(20)13-8-11(3)21-16-13/h4-5,8,12H,1-2,6-7,9-10H2,3H3
InChIKeyVVOGIWFFDUMMGJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.26
Rot. Bonds6

About 1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide

1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide (PubChem CID 90511554) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide
PubChem CID90511554
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CN(C(=O)c2cc(C)on2)C1
InChIInChI=1S/C15H19N3O3/c1-4-6-17(7-5-2)14(19)12-9-18(10-12)15(20)13-8-11(3)21-16-13/h4-5,8,12H,1-2,6-7,9-10H2,3H3
InChIKeyVVOGIWFFDUMMGJ-UHFFFAOYSA-N
XLogP1.26
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide (CID 90511554) is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide is C=CCN(CC=C)C(=O)C1CN(C(=O)c2cc(C)on2)C1.
What is the InChIKey of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide?
The InChIKey is VVOGIWFFDUMMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-6-17(7-5-2)14(19)12-9-18(10-12)15(20)13-8-11(3)21-16-13/h4-5,8,12H,1-2,6-7,9-10H2,3H3.
What are the key properties of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide?
1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N,N-bis(prop-2-enyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).