5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine

C14H17N3O — CID 3770179

IUPAC5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine
SMILESCc1noc(C=Cc2ccc(N(C)C)cc2)c1N
InChIInChI=1S/C14H17N3O/c1-10-14(15)13(18-16-10)9-6-11-4-7-12(8-5-11)17(2)3/h4-9H,15H2,1-3H3
InChIKeyAMDRLPCVPSJZKU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.80
Rot. Bonds3

About 5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine

5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine (PubChem CID 3770179) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine
PubChem CID3770179
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine
SMILESCc1noc(C=Cc2ccc(N(C)C)cc2)c1N
InChIInChI=1S/C14H17N3O/c1-10-14(15)13(18-16-10)9-6-11-4-7-12(8-5-11)17(2)3/h4-9H,15H2,1-3H3
InChIKeyAMDRLPCVPSJZKU-UHFFFAOYSA-N
XLogP2.80
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
CID 102467999
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrimidin-4-yl]ethenyl]-N,N-dimethylaniline
CID 42643531
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrazin-2-yl]ethenyl]-N,N-dimethylaniline
CID 50936651
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine
CID 164769574

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine?
The IUPAC name of 5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine (CID 3770179) is 5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine.
What is the SMILES notation for 5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine?
The canonical SMILES for 5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine is Cc1noc(C=Cc2ccc(N(C)C)cc2)c1N.
What is the InChIKey of 5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine?
The InChIKey is AMDRLPCVPSJZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-14(15)13(18-16-10)9-6-11-4-7-12(8-5-11)17(2)3/h4-9H,15H2,1-3H3.
What are the key properties of 5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine?
5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-amine is sourced from PubChem (CID 3770179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).