4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine

C11H13N3O — CID 106414484

IUPAC4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
SMILESCc1ccc(NCc2ccno2)c(N)c1
InChIInChI=1S/C11H13N3O/c1-8-2-3-11(10(12)6-8)13-7-9-4-5-14-15-9/h2-6,13H,7,12H2,1H3
InChIKeyHDRAKKOGXYEKEP-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.18
Rot. Bonds3

About 4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine

4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine (PubChem CID 106414484) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
PubChem CID106414484
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
SMILESCc1ccc(NCc2ccno2)c(N)c1
InChIInChI=1S/C11H13N3O/c1-8-2-3-11(10(12)6-8)13-7-9-4-5-14-15-9/h2-6,13H,7,12H2,1H3
InChIKeyHDRAKKOGXYEKEP-UHFFFAOYSA-N
XLogP2.18
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide
CID 106414526
3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 106414398
3-methyl-5-N-(1,2-oxazol-5-ylmethyl)isoquinoline-5,8-diamine
CID 106414574
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
CID 106414559
4-methyl-2-N-(1,2-oxazol-5-ylmethyl)pyridine-2,5-diamine
CID 106414445
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
1-N-[(2,5-diaminophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 23440273
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 64682149
1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
CID 91826509
2-(2-amino-4-methylanilino)acetamide
CID 43349420
2-(2-amino-4-methylanilino)acetic acid
CID 62253680

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine (CID 106414484) is 4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine is Cc1ccc(NCc2ccno2)c(N)c1.
What is the InChIKey of 4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine?
The InChIKey is HDRAKKOGXYEKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-2-3-11(10(12)6-8)13-7-9-4-5-14-15-9/h2-6,13H,7,12H2,1H3.
What are the key properties of 4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine?
4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine has a molecular weight of 203.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 106414484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).