N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide

C16H18N2O2S — CID 94799042

IUPACN-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESC[C@@H](NC(=O)CSc1ncc(-c2ccccc2)o1)C1CC1
InChIInChI=1S/C16H18N2O2S/c1-11(12-7-8-12)18-15(19)10-21-16-17-9-14(20-16)13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyWCRONFVYNVGMHC-LLVKDONJSA-N
MW302.40 g/mol
LogP3.35
Rot. Bonds6

About N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide

N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 94799042) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID94799042
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESC[C@@H](NC(=O)CSc1ncc(-c2ccccc2)o1)C1CC1
InChIInChI=1S/C16H18N2O2S/c1-11(12-7-8-12)18-15(19)10-21-16-17-9-14(20-16)13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyWCRONFVYNVGMHC-LLVKDONJSA-N
XLogP3.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea
CID 178134807
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide
CID 94073665
N-[(1S)-1-cyclopropylethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731587
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 166198972
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773556
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide
CID 50775705
N-[(1R)-1-cyclopropylethyl]-2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40795223
N-(4-bromo-2-fluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 50773663
N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47477183
N-(1-cyclopropylethyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 51320066
2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyclopropylethyl)acetamide
CID 17459038

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 94799042) is N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is C[C@@H](NC(=O)CSc1ncc(-c2ccccc2)o1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is WCRONFVYNVGMHC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(12-7-8-12)18-15(19)10-21-16-17-9-14(20-16)13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 302.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 94799042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).