N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide

C11H16N2O2S — CID 110865536

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide
SMILESCc1cc(NC(=O)CC2CCSCC2)no1
InChIInChI=1S/C11H16N2O2S/c1-8-6-10(13-15-8)12-11(14)7-9-2-4-16-5-3-9/h6,9H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyPASXYSWKCINLMU-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.45
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide (PubChem CID 110865536) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide
PubChem CID110865536
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide
SMILESCc1cc(NC(=O)CC2CCSCC2)no1
InChIInChI=1S/C11H16N2O2S/c1-8-6-10(13-15-8)12-11(14)7-9-2-4-16-5-3-9/h6,9H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyPASXYSWKCINLMU-UHFFFAOYSA-N
XLogP2.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79529652
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210
2-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813408
1-(1-cyclopropylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125586
N-(5-methyl-1,2-oxazol-3-yl)-3-(oxan-4-ylsulfanyl)propanamide
CID 75389694
N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115699481
N-(5-methyl-1,2-oxazol-3-yl)-2-(4H-triazol-4-yl)acetamide
CID 25239920
2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2874506
1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6460835
2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 119697251
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
4-methyl-3-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 83144754

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide (CID 110865536) is N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide is Cc1cc(NC(=O)CC2CCSCC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide?
The InChIKey is PASXYSWKCINLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-6-10(13-15-8)12-11(14)7-9-2-4-16-5-3-9/h6,9H,2-5,7H2,1H3,(H,12,13,14).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide has a molecular weight of 240.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 110865536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).