ethyl 5-amino-1,3-benzoxazole-2-carboxylate

C10H10N2O3 — CID 118999769

IUPACethyl 5-amino-1,3-benzoxazole-2-carboxylate
SMILESCCOC(=O)c1nc2cc(N)ccc2o1
InChIInChI=1S/C10H10N2O3/c1-2-14-10(13)9-12-7-5-6(11)3-4-8(7)15-9/h3-5H,2,11H2,1H3
InChIKeyOXTDWVGRGVECJL-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.59
Rot. Bonds2

About ethyl 5-amino-1,3-benzoxazole-2-carboxylate

ethyl 5-amino-1,3-benzoxazole-2-carboxylate (PubChem CID 118999769) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 5-amino-1,3-benzoxazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1,3-benzoxazole-2-carboxylate
PubChem CID118999769
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 5-amino-1,3-benzoxazole-2-carboxylate
SMILESCCOC(=O)c1nc2cc(N)ccc2o1
InChIInChI=1S/C10H10N2O3/c1-2-14-10(13)9-12-7-5-6(11)3-4-8(7)15-9/h3-5H,2,11H2,1H3
InChIKeyOXTDWVGRGVECJL-UHFFFAOYSA-N
XLogP1.59
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 5-amino-1,3-benzoxazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate
CID 177213860
ethyl 2-bromo-1,3-benzoxazole-5-carboxylate
CID 131612632
methyl 2-(5-amino-1,3-benzoxazol-2-yl)acetate
CID 131332887
ethyl 2-ethyl-1,3-benzoxazole-5-carboxylate
CID 1214797
ethyl 5-[(5-methyl-1,3-benzoxazol-2-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 158973706
ethyl N-[(5-methyl-1,3-benzoxazole-2-carbonyl)amino]carbamate
CID 13447629
methyl 2-[(5-amino-1,3-benzoxazol-2-yl)methylsulfonyl]acetate
CID 79972161
2-[(5-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-diethylacetamide
CID 61368399
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-ethyl-N-methylacetamide
CID 61359830
ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
ethyl 7-bromo-1,3-benzoxazole-2-carboxylate
CID 130133419
2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
CID 79890875

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1,3-benzoxazole-2-carboxylate?
The IUPAC name of ethyl 5-amino-1,3-benzoxazole-2-carboxylate (CID 118999769) is ethyl 5-amino-1,3-benzoxazole-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-1,3-benzoxazole-2-carboxylate?
The canonical SMILES for ethyl 5-amino-1,3-benzoxazole-2-carboxylate is CCOC(=O)c1nc2cc(N)ccc2o1.
What is the InChIKey of ethyl 5-amino-1,3-benzoxazole-2-carboxylate?
The InChIKey is OXTDWVGRGVECJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-14-10(13)9-12-7-5-6(11)3-4-8(7)15-9/h3-5H,2,11H2,1H3.
What are the key properties of ethyl 5-amino-1,3-benzoxazole-2-carboxylate?
ethyl 5-amino-1,3-benzoxazole-2-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1,3-benzoxazole-2-carboxylate is sourced from PubChem (CID 118999769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).