2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol

C10H11N3O2 — CID 115023924

IUPAC2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol
SMILESCc1oc(N)nc1-c1ccc(O)c(N)c1
InChIInChI=1S/C10H11N3O2/c1-5-9(13-10(12)15-5)6-2-3-8(14)7(11)4-6/h2-4,14H,11H2,1H3,(H2,12,13)
InChIKeyCJFWXGYJMVSAFM-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.52
Rot. Bonds1

About 2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol

2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol (PubChem CID 115023924) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol
PubChem CID115023924
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol
SMILESCc1oc(N)nc1-c1ccc(O)c(N)c1
InChIInChI=1S/C10H11N3O2/c1-5-9(13-10(12)15-5)6-2-3-8(14)7(11)4-6/h2-4,14H,11H2,1H3,(H2,12,13)
InChIKeyCJFWXGYJMVSAFM-UHFFFAOYSA-N
XLogP1.52
TPSA98.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol?
The IUPAC name of 2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol (CID 115023924) is 2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol.
What is the SMILES notation for 2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol?
The canonical SMILES for 2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol is Cc1oc(N)nc1-c1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol?
The InChIKey is CJFWXGYJMVSAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-5-9(13-10(12)15-5)6-2-3-8(14)7(11)4-6/h2-4,14H,11H2,1H3,(H2,12,13).
What are the key properties of 2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol?
2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol has a molecular weight of 205.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol is sourced from PubChem (CID 115023924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).