3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide

C14H17N3O2S — CID 106921688

IUPAC3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Sc2nc(C)c(C)o2)c(N)c1
InChIInChI=1S/C14H17N3O2S/c1-4-16-13(18)10-5-6-12(11(15)7-10)20-14-17-8(2)9(3)19-14/h5-7H,4,15H2,1-3H3,(H,16,18)
InChIKeyBPSDRPCZIKGNET-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.77
Rot. Bonds4

About 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide

3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide (PubChem CID 106921688) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
PubChem CID106921688
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Sc2nc(C)c(C)o2)c(N)c1
InChIInChI=1S/C14H17N3O2S/c1-4-16-13(18)10-5-6-12(11(15)7-10)20-14-17-8(2)9(3)19-14/h5-7H,4,15H2,1-3H3,(H,16,18)
InChIKeyBPSDRPCZIKGNET-UHFFFAOYSA-N
XLogP2.77
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.77
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

4-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043594
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzamide
CID 103809742
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide
CID 106368764
N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9423173
4-cyclohexyl-N-propyl-[1,3]oxazolo[5,4-b][1,5]benzothiazepine-7-carboxamide
CID 25013645
N-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9422628
N-(4-{[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl}phenyl)acetamide
CID 9457421
1-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone
CID 24240120
[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrophenyl]-phenylmethanone
CID 24621021
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrobenzamide
CID 24656796
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55602501
N-benzyl-2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 55640037

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide (CID 106921688) is 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide is CCNC(=O)c1ccc(Sc2nc(C)c(C)o2)c(N)c1.
What is the InChIKey of 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide?
The InChIKey is BPSDRPCZIKGNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-16-13(18)10-5-6-12(11(15)7-10)20-14-17-8(2)9(3)19-14/h5-7H,4,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide?
3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide has a molecular weight of 291.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide is sourced from PubChem (CID 106921688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).