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

C15H21N3O — CID 67271693

IUPAC4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(CC1COC(N)=N1)c1cccc(C2CC2)c1
InChIInChI=1S/C15H21N3O/c1-2-18(9-13-10-19-15(16)17-13)14-5-3-4-12(8-14)11-6-7-11/h3-5,8,11,13H,2,6-7,9-10H2,1H3,(H2,16,17)
InChIKeyNACGXYFTFJBQFP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.10
Rot. Bonds5

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

4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67271693) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67271693
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(CC1COC(N)=N1)c1cccc(C2CC2)c1
InChIInChI=1S/C15H21N3O/c1-2-18(9-13-10-19-15(16)17-13)14-5-3-4-12(8-14)11-6-7-11/h3-5,8,11,13H,2,6-7,9-10H2,1H3,(H2,16,17)
InChIKeyNACGXYFTFJBQFP-UHFFFAOYSA-N
XLogP2.10
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67271693) is 4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCN(CC1COC(N)=N1)c1cccc(C2CC2)c1.
What is the InChIKey of 4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is NACGXYFTFJBQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-18(9-13-10-19-15(16)17-13)14-5-3-4-12(8-14)11-6-7-11/h3-5,8,11,13H,2,6-7,9-10H2,1H3,(H2,16,17).
What are the key properties of 4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67271693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).