N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine

C15H19N3O — CID 126816371

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine
SMILESCc1noc(C)c1CN(C)CC=Cc1ccncc1
InChIInChI=1S/C15H19N3O/c1-12-15(13(2)19-17-12)11-18(3)10-4-5-14-6-8-16-9-7-14/h4-9H,10-11H2,1-3H3
InChIKeyCMSRBXRPMGDCJP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.83
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine (PubChem CID 126816371) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine
PubChem CID126816371
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine
SMILESCc1noc(C)c1CN(C)CC=Cc1ccncc1
InChIInChI=1S/C15H19N3O/c1-12-15(13(2)19-17-12)11-18(3)10-4-5-14-6-8-16-9-7-14/h4-9H,10-11H2,1-3H3
InChIKeyCMSRBXRPMGDCJP-UHFFFAOYSA-N
XLogP2.83
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine (CID 126816371) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine is Cc1noc(C)c1CN(C)CC=Cc1ccncc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine?
The InChIKey is CMSRBXRPMGDCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-15(13(2)19-17-12)11-18(3)10-4-5-14-6-8-16-9-7-14/h4-9H,10-11H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-pyridin-4-ylprop-2-en-1-amine is sourced from PubChem (CID 126816371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).