3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide

C12H13N3O2S — CID 106921381

IUPAC3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESCCNC(=O)c1ccc(Sc2ncco2)c(N)c1
InChIInChI=1S/C12H13N3O2S/c1-2-14-11(16)8-3-4-10(9(13)7-8)18-12-15-5-6-17-12/h3-7H,2,13H2,1H3,(H,14,16)
InChIKeyCKAZKOZFYCVJMX-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.16
Rot. Bonds4

About 3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide

3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide (PubChem CID 106921381) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
PubChem CID106921381
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESCCNC(=O)c1ccc(Sc2ncco2)c(N)c1
InChIInChI=1S/C12H13N3O2S/c1-2-14-11(16)8-3-4-10(9(13)7-8)18-12-15-5-6-17-12/h3-7H,2,13H2,1H3,(H,14,16)
InChIKeyCKAZKOZFYCVJMX-UHFFFAOYSA-N
XLogP2.16
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373215
7-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373218
10-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373230
10-fluoro-N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373329
2-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373331
8-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373406
9-fluoro-N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373501
2-fluoro-N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373510
8-fluoro-N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373535
9-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373600
10-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-5,6-dihydrobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 123705384
4-(3-fluoro-2-formylphenyl)sulfanyl-3-(methylamino)-N-[2-(1,3-oxazol-5-yl)ethyl]benzamide
CID 144921901

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide (CID 106921381) is 3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide is CCNC(=O)c1ccc(Sc2ncco2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
The InChIKey is CKAZKOZFYCVJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-14-11(16)8-3-4-10(9(13)7-8)18-12-15-5-6-17-12/h3-7H,2,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide has a molecular weight of 263.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide is sourced from PubChem (CID 106921381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).