4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine

C12H15N3O2 — CID 106369624

IUPAC4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine
SMILESCOc1ccc(NCc2ncc(C)o2)c(N)c1
InChIInChI=1S/C12H15N3O2/c1-8-6-15-12(17-8)7-14-11-4-3-9(16-2)5-10(11)13/h3-6,14H,7,13H2,1-2H3
InChIKeyUFPOCWHAVHSVNP-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.19
Rot. Bonds4

About 4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine

4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine (PubChem CID 106369624) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine
PubChem CID106369624
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine
SMILESCOc1ccc(NCc2ncc(C)o2)c(N)c1
InChIInChI=1S/C12H15N3O2/c1-8-6-15-12(17-8)7-14-11-4-3-9(16-2)5-10(11)13/h3-6,14H,7,13H2,1-2H3
InChIKeyUFPOCWHAVHSVNP-UHFFFAOYSA-N
XLogP2.19
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzoate
CID 114180877
4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 99830762
2,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651599
2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 106369748
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154
1-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 114179972
3-fluoro-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenecarbothioamide
CID 114180408
2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 167970186
1-N-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-methoxybenzene-1,2-diamine
CID 70494011
5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol
CID 106370137
2-hydroxy-4-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 103722993
5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
CID 106369789

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine (CID 106369624) is 4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine is COc1ccc(NCc2ncc(C)o2)c(N)c1.
What is the InChIKey of 4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine?
The InChIKey is UFPOCWHAVHSVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-6-15-12(17-8)7-14-11-4-3-9(16-2)5-10(11)13/h3-6,14H,7,13H2,1-2H3.
What are the key properties of 4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine?
4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine has a molecular weight of 233.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 106369624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).