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

C12H13N3O2S — CID 106921421

IUPAC4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESCN(C)C(=O)c1ccc(N)cc1Sc1ncco1
InChIInChI=1S/C12H13N3O2S/c1-15(2)11(16)9-4-3-8(13)7-10(9)18-12-14-5-6-17-12/h3-7H,13H2,1-2H3
InChIKeyPZYOCIGMGOBINM-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.11
Rot. Bonds3

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

4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide (PubChem CID 106921421) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide
PubChem CID106921421
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESCN(C)C(=O)c1ccc(N)cc1Sc1ncco1
InChIInChI=1S/C12H13N3O2S/c1-15(2)11(16)9-4-3-8(13)7-10(9)18-12-14-5-6-17-12/h3-7H,13H2,1-2H3
InChIKeyPZYOCIGMGOBINM-UHFFFAOYSA-N
XLogP2.11
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106924119
2-(1,3-Oxazol-2-ylsulfanyl)benzamide
CID 18399902
2-Methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921306
3-Methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921316
1-[2-Amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106921317
5-Amino-2-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
CID 106921335
3-Amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921347
1-[2-Amino-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106921362
4-Methyl-3-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921374
4-Amino-2-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921376
3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921381
2-Methyl-3-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921391

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide (CID 106921421) is 4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide is CN(C)C(=O)c1ccc(N)cc1Sc1ncco1.
What is the InChIKey of 4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide?
The InChIKey is PZYOCIGMGOBINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-15(2)11(16)9-4-3-8(13)7-10(9)18-12-14-5-6-17-12/h3-7H,13H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide?
4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide has a molecular weight of 263.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)benzamide is sourced from PubChem (CID 106921421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).