3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide

C13H15N3O2S — CID 106921590

IUPAC3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2ccc(C(=O)N(C)C)cc2N)n1
InChIInChI=1S/C13H15N3O2S/c1-8-7-18-13(15-8)19-11-5-4-9(6-10(11)14)12(17)16(2)3/h4-7H,14H2,1-3H3
InChIKeyKSBIPKYVRVEEQF-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.42
Rot. Bonds3

About 3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide

3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (PubChem CID 106921590) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
PubChem CID106921590
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2ccc(C(=O)N(C)C)cc2N)n1
InChIInChI=1S/C13H15N3O2S/c1-8-7-18-13(15-8)19-11-5-4-9(6-10(11)14)12(17)16(2)3/h4-7H,14H2,1-3H3
InChIKeyKSBIPKYVRVEEQF-UHFFFAOYSA-N
XLogP2.42
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.42
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-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline
CID 106921458
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 140431135
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrobenzamide
CID 24656796
3-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide
CID 55640038
3-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 60436646
N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide
CID 99825518
1-[4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone
CID 103525462
3-Amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921347
3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921381
4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921402
3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921432
5-Methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921452

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (CID 106921590) is 3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is Cc1coc(Sc2ccc(C(=O)N(C)C)cc2N)n1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The InChIKey is KSBIPKYVRVEEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-7-18-13(15-8)19-11-5-4-9(6-10(11)14)12(17)16(2)3/h4-7H,14H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide has a molecular weight of 277.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 106921590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).