N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide

C12H18N2O2S — CID 94102888

IUPACN-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)N[C@@H](C)C2CC2)oc1C
InChIInChI=1S/C12H18N2O2S/c1-7-9(3)16-12(14-7)17-6-11(15)13-8(2)10-4-5-10/h8,10H,4-6H2,1-3H3,(H,13,15)/t8-/m0/s1
InChIKeyCLNJRONUVFIODP-QMMMGPOBSA-N
MW254.35 g/mol
LogP2.30
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide

N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 94102888) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID94102888
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)N[C@@H](C)C2CC2)oc1C
InChIInChI=1S/C12H18N2O2S/c1-7-9(3)16-12(14-7)17-6-11(15)13-8(2)10-4-5-10/h8,10H,4-6H2,1-3H3,(H,13,15)/t8-/m0/s1
InChIKeyCLNJRONUVFIODP-QMMMGPOBSA-N
XLogP2.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 56736123
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47025888
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 71917028
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-2,2,2-trifluoroethanamine
CID 106925967
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 113893957
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 71896980
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide
CID 75681958
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]ethylcarbamic acid
CID 54378791
N-tert-butyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 16484727
N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 39922987
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 39928723

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 94102888) is N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)N[C@@H](C)C2CC2)oc1C.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is CLNJRONUVFIODP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-7-9(3)16-12(14-7)17-6-11(15)13-8(2)10-4-5-10/h8,10H,4-6H2,1-3H3,(H,13,15)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 254.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 94102888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).