(E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide

C13H15N3O2 — CID 167952642

IUPAC(E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C/c1conc1C1CC1
InChIInChI=1S/C13H15N3O2/c1-2-5-15-13(17)10(7-14)6-11-8-18-16-12(11)9-3-4-9/h6,8-9H,2-5H2,1H3,(H,15,17)/b10-6+
InChIKeySLNLBIRLKOOQHL-UXBLZVDNSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds5

About (E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide

(E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide (PubChem CID 167952642) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide
PubChem CID167952642
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C/c1conc1C1CC1
InChIInChI=1S/C13H15N3O2/c1-2-5-15-13(17)10(7-14)6-11-8-18-16-12(11)9-3-4-9/h6,8-9H,2-5H2,1H3,(H,15,17)/b10-6+
InChIKeySLNLBIRLKOOQHL-UXBLZVDNSA-N
XLogP1.99
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide
CID 136555988
(E)-2-cyano-3-[2-(oxan-4-yl)pyrazol-3-yl]-N-propylprop-2-enamide
CID 167860658
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
CID 177400804
(E)-2-cyano-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-propylprop-2-enamide
CID 178201524
3-(2-butoxyphenyl)-2-cyano-N-propylprop-2-enamide
CID 3986173
3-(3-bromo-6-chloro-2-pyridinyl)-2-cyano-N-propylprop-2-enamide
CID 126828622
(Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide
CID 19183544
(E)-3-(1-benzothiophen-7-yl)-2-cyano-N-propylprop-2-enamide
CID 167942676
(E)-2-cyano-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylprop-2-enamide
CID 167958482
(E)-3-(4-bromothiophen-2-yl)-2-cyano-N-propylprop-2-enamide
CID 17376821
(Z)-2-cyano-3-(3,5-dichloroanilino)-N-propylprop-2-enamide
CID 108820406
(Z)-3-(4-bromo-5-methylthiophen-2-yl)-2-cyano-N-propylprop-2-enamide
CID 167830404

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide (CID 167952642) is (E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C/c1conc1C1CC1.
What is the InChIKey of (E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide?
The InChIKey is SLNLBIRLKOOQHL-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-5-15-13(17)10(7-14)6-11-8-18-16-12(11)9-3-4-9/h6,8-9H,2-5H2,1H3,(H,15,17)/b10-6+.
What are the key properties of (E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide?
(E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide has a molecular weight of 245.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3-cyclopropyl-1,2-oxazol-4-yl)-N-propylprop-2-enamide is sourced from PubChem (CID 167952642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).