2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine

C11H15N3O — CID 79890300

IUPAC2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine
SMILESCC(C)N(C)c1nc2c(N)cccc2o1
InChIInChI=1S/C11H15N3O/c1-7(2)14(3)11-13-10-8(12)5-4-6-9(10)15-11/h4-7H,12H2,1-3H3
InChIKeyCPCUWQMLSPPUGI-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.25
Rot. Bonds2

About 2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine

2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine (PubChem CID 79890300) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine
PubChem CID79890300
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine
SMILESCC(C)N(C)c1nc2c(N)cccc2o1
InChIInChI=1S/C11H15N3O/c1-7(2)14(3)11-13-10-8(12)5-4-6-9(10)15-11/h4-7H,12H2,1-3H3
InChIKeyCPCUWQMLSPPUGI-UHFFFAOYSA-N
XLogP2.25
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-2-N-(2-methylsulfanylethyl)-1,3-benzoxazole-2,4-diamine
CID 112656777
2-N-methyl-2-N-(2-methylbutan-2-yl)-1,3-benzoxazole-2,4-diamine
CID 79893527
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine
CID 79893354
2-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79891016
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3-benzoxazole-2,4-diamine
CID 79893264
2-N-(3-fluorophenyl)-2-N-methyl-1,3-benzoxazole-2,4-diamine
CID 79892638
2-N-methyl-2-N-[(4-methylphenyl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79891140
2-(3-methylbutan-2-ylsulfanyl)-1,3-benzoxazol-4-amine
CID 107747934
2-[(4-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
CID 79892475
2-[[butan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79996230
2-[[ethyl(propan-2-yl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995073
3-[[(4-amino-1,3-benzoxazol-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 79893540

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine (CID 79890300) is 2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine is CC(C)N(C)c1nc2c(N)cccc2o1.
What is the InChIKey of 2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine?
The InChIKey is CPCUWQMLSPPUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)14(3)11-13-10-8(12)5-4-6-9(10)15-11/h4-7H,12H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine?
2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine has a molecular weight of 205.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-propan-2-yl-1,3-benzoxazole-2,4-diamine is sourced from PubChem (CID 79890300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).