3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine

C15H21N3O2 — CID 106369566

IUPAC3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NCc2ncc(CC)o2)c1
InChIInChI=1S/C15H21N3O2/c1-3-5-19-14-7-11(16)6-12(8-14)17-10-15-18-9-13(4-2)20-15/h6-9,17H,3-5,10,16H2,1-2H3
InChIKeyLQMNMKOCOADFHO-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.22
Rot. Bonds7

About 3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine

3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine (PubChem CID 106369566) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine
PubChem CID106369566
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NCc2ncc(CC)o2)c1
InChIInChI=1S/C15H21N3O2/c1-3-5-19-14-7-11(16)6-12(8-14)17-10-15-18-9-13(4-2)20-15/h6-9,17H,3-5,10,16H2,1-2H3
InChIKeyLQMNMKOCOADFHO-UHFFFAOYSA-N
XLogP3.22
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(1H-imidazol-5-ylmethyl)-5-propoxybenzene-1,3-diamine
CID 80735039
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine
CID 103275364
3-N-[(5-bromothiophen-2-yl)methyl]-5-propoxybenzene-1,3-diamine
CID 80735575
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
CID 104758765
3-N-[(3,4-difluorophenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80738657
3-N-[(2-methylphenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80730750
1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol
CID 80735376
5-propoxy-3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142729
1-(3-amino-5-propoxyanilino)propan-2-ol
CID 80721564
5-propoxy-3-N-(3,3,3-trifluoropropyl)benzene-1,3-diamine
CID 80734994
3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine
CID 80721832
1-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 114179972

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine (CID 106369566) is 3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(NCc2ncc(CC)o2)c1.
What is the InChIKey of 3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine?
The InChIKey is LQMNMKOCOADFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-5-19-14-7-11(16)6-12(8-14)17-10-15-18-9-13(4-2)20-15/h6-9,17H,3-5,10,16H2,1-2H3.
What are the key properties of 3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine?
3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine has a molecular weight of 275.35 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine is sourced from PubChem (CID 106369566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).