(E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide

C14H16N4O2 — CID 106416428

IUPAC(E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
SMILESCc1noc(CCNC(=O)/C=C/c2cccc(N)c2)n1
InChIInChI=1S/C14H16N4O2/c1-10-17-14(20-18-10)7-8-16-13(19)6-5-11-3-2-4-12(15)9-11/h2-6,9H,7-8,15H2,1H3,(H,16,19)/b6-5+
InChIKeyOXOBSAZRFUSHAA-AATRIKPKSA-N
MW272.31 g/mol
LogP1.33
Rot. Bonds5

About (E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide

(E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide (PubChem CID 106416428) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
PubChem CID106416428
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
SMILESCc1noc(CCNC(=O)/C=C/c2cccc(N)c2)n1
InChIInChI=1S/C14H16N4O2/c1-10-17-14(20-18-10)7-8-16-13(19)6-5-11-3-2-4-12(15)9-11/h2-6,9H,7-8,15H2,1H3,(H,16,19)/b6-5+
InChIKeyOXOBSAZRFUSHAA-AATRIKPKSA-N
XLogP1.33
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413391
(E)-3-(3-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 106047459
(E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide
CID 115342852
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide
CID 115343655
(E)-3-(3-aminophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 115342777
(E)-3-(3-aminophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide
CID 115344130
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
(E)-3-(3-aminophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 115343692
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
(E)-3-(3-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
CID 106371187
(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
CID 114332120

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide (CID 106416428) is (E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide is Cc1noc(CCNC(=O)/C=C/c2cccc(N)c2)n1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide?
The InChIKey is OXOBSAZRFUSHAA-AATRIKPKSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-17-14(20-18-10)7-8-16-13(19)6-5-11-3-2-4-12(15)9-11/h2-6,9H,7-8,15H2,1H3,(H,16,19)/b6-5+.
What are the key properties of (E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide?
(E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide has a molecular weight of 272.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 106416428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).