4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C13H19N3O — CID 67271680

IUPAC4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCc1cccc(N(C)CC2COC(N)=N2)c1
InChIInChI=1S/C13H19N3O/c1-3-10-5-4-6-12(7-10)16(2)8-11-9-17-13(14)15-11/h4-7,11H,3,8-9H2,1-2H3,(H2,14,15)
InChIKeyMQNKPVXIBPRLIB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.40
Rot. Bonds4

About 4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67271680) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67271680
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCc1cccc(N(C)CC2COC(N)=N2)c1
InChIInChI=1S/C13H19N3O/c1-3-10-5-4-6-12(7-10)16(2)8-11-9-17-13(14)15-11/h4-7,11H,3,8-9H2,1-2H3,(H2,14,15)
InChIKeyMQNKPVXIBPRLIB-UHFFFAOYSA-N
XLogP1.40
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67271680) is 4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCc1cccc(N(C)CC2COC(N)=N2)c1.
What is the InChIKey of 4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is MQNKPVXIBPRLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-10-5-4-6-12(7-10)16(2)8-11-9-17-13(14)15-11/h4-7,11H,3,8-9H2,1-2H3,(H2,14,15).
What are the key properties of 4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 233.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67271680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).