6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one

C15H15N3O3 — CID 115425085

IUPAC6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one
SMILESCCOc1ccc(Nc2cc3[nH]c(=O)oc3cc2N)cc1
InChIInChI=1S/C15H15N3O3/c1-2-20-10-5-3-9(4-6-10)17-12-8-13-14(7-11(12)16)21-15(19)18-13/h3-8,17H,2,16H2,1H3,(H,18,19)
InChIKeyOEIVLXQERGNSQS-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.85
Rot. Bonds4

About 6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one

6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one (PubChem CID 115425085) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one
PubChem CID115425085
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one
SMILESCCOc1ccc(Nc2cc3[nH]c(=O)oc3cc2N)cc1
InChIInChI=1S/C15H15N3O3/c1-2-20-10-5-3-9(4-6-10)17-12-8-13-14(7-11(12)16)21-15(19)18-13/h3-8,17H,2,16H2,1H3,(H,18,19)
InChIKeyOEIVLXQERGNSQS-UHFFFAOYSA-N
XLogP2.85
TPSA93.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-(3,4-difluoroanilino)-3H-1,3-benzoxazol-2-one
CID 115425107
6-amino-5-(3-fluoro-4-methylanilino)-3H-1,3-benzoxazol-2-one
CID 115425126
6-amino-5-(3-fluoro-5-methylanilino)-3H-1,3-benzoxazol-2-one
CID 115425745
6-amino-5-(3-bromo-5-methylanilino)-3H-1,3-benzoxazol-2-one
CID 107581836
6-amino-5-(propylamino)-3H-1,3-benzoxazol-2-one
CID 115425024
6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one
CID 115425824
6-amino-5-(2,5-difluoroanilino)-3H-1,3-benzoxazol-2-one
CID 115425095
6-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 29066419
6-[(4-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61087841
6-amino-5-(2-bromo-4-chloroanilino)-3H-1,3-benzoxazol-2-one
CID 115425809
6-amino-5-[(1-methylpyrazol-3-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115425770
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one (CID 115425085) is 6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one is CCOc1ccc(Nc2cc3[nH]c(=O)oc3cc2N)cc1.
What is the InChIKey of 6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one?
The InChIKey is OEIVLXQERGNSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-20-10-5-3-9(4-6-10)17-12-8-13-14(7-11(12)16)21-15(19)18-13/h3-8,17H,2,16H2,1H3,(H,18,19).
What are the key properties of 6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one?
6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one has a molecular weight of 285.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-ethoxyanilino)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).