N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine

C14H16N2OS — CID 56662358

IUPACN-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C14H16N2OS/c1-3-7-16(8-4-2)10-12-11-17-14(15-12)13-6-5-9-18-13/h3-6,9,11H,1-2,7-8,10H2
InChIKeyZERNFBQNMBVOLH-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.58
Rot. Bonds7

About N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine

N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine (PubChem CID 56662358) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine
PubChem CID56662358
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C14H16N2OS/c1-3-7-16(8-4-2)10-12-11-17-14(15-12)13-6-5-9-18-13/h3-6,9,11H,1-2,7-8,10H2
InChIKeyZERNFBQNMBVOLH-UHFFFAOYSA-N
XLogP3.58
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.58
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 N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine (CID 56662358) is N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine is C=CCN(CC=C)Cc1coc(-c2cccs2)n1.
What is the InChIKey of N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is ZERNFBQNMBVOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-7-16(8-4-2)10-12-11-17-14(15-12)13-6-5-9-18-13/h3-6,9,11H,1-2,7-8,10H2.
What are the key properties of N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine?
N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 260.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 56662358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).