[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol

C9H10N2O2 — CID 115228727

IUPAC[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
SMILESCc1nc2ccc(NCO)cc2o1
InChIInChI=1S/C9H10N2O2/c1-6-11-8-3-2-7(10-5-12)4-9(8)13-6/h2-4,10,12H,5H2,1H3
InChIKeyKJOHDBCRHGPCQC-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.50
Rot. Bonds2

About [(2-methyl-1,3-benzoxazol-6-yl)amino]methanol

[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol (PubChem CID 115228727) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is [(2-methyl-1,3-benzoxazol-6-yl)amino]methanol.

Molecular Properties

Compound Name[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
PubChem CID115228727
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
SMILESCc1nc2ccc(NCO)cc2o1
InChIInChI=1S/C9H10N2O2/c1-6-11-8-3-2-7(10-5-12)4-9(8)13-6/h2-4,10,12H,5H2,1H3
InChIKeyKJOHDBCRHGPCQC-UHFFFAOYSA-N
XLogP1.50
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol
CID 115120319
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115195764
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
CID 115260505
N'-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 115197129
N-ethyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115205626
[3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248821
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
CID 86921843
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 110894504
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240

Frequently Asked Questions

What is the IUPAC name of [(2-methyl-1,3-benzoxazol-6-yl)amino]methanol?
The IUPAC name of [(2-methyl-1,3-benzoxazol-6-yl)amino]methanol (CID 115228727) is [(2-methyl-1,3-benzoxazol-6-yl)amino]methanol.
What is the SMILES notation for [(2-methyl-1,3-benzoxazol-6-yl)amino]methanol?
The canonical SMILES for [(2-methyl-1,3-benzoxazol-6-yl)amino]methanol is Cc1nc2ccc(NCO)cc2o1.
What is the InChIKey of [(2-methyl-1,3-benzoxazol-6-yl)amino]methanol?
The InChIKey is KJOHDBCRHGPCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-11-8-3-2-7(10-5-12)4-9(8)13-6/h2-4,10,12H,5H2,1H3.
What are the key properties of [(2-methyl-1,3-benzoxazol-6-yl)amino]methanol?
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol has a molecular weight of 178.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methyl-1,3-benzoxazol-6-yl)amino]methanol is sourced from PubChem (CID 115228727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).