(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide

C15H18N2O2S — CID 97227152

IUPAC(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESCC(C)(C)c1cnc(S[C@H](C(N)=O)c2ccccc2)o1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)11-9-17-14(19-11)20-12(13(16)18)10-7-5-4-6-8-10/h4-9,12H,1-3H3,(H2,16,18)/t12-/m0/s1
InChIKeyNMPXUWWSSZRTAL-LBPRGKRZSA-N
MW290.39 g/mol
LogP3.29
Rot. Bonds4

About (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide

(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide (PubChem CID 97227152) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide
PubChem CID97227152
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESCC(C)(C)c1cnc(S[C@H](C(N)=O)c2ccccc2)o1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)11-9-17-14(19-11)20-12(13(16)18)10-7-5-4-6-8-10/h4-9,12H,1-3H3,(H2,16,18)/t12-/m0/s1
InChIKeyNMPXUWWSSZRTAL-LBPRGKRZSA-N
XLogP3.29
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
(2R)-2-methylsulfanyl-2-phenylacetamide
CID 101026307
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 86790555
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809
2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 24597995
2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 18139283
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]benzoic acid
CID 43352332
(2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone
CID 40951262
2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide
CID 18138315
(2S)-2-[[5-[(R)-carboxy(phenyl)methyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetic acid
CID 27153276
2-(1,3-benzoxazol-2-ylsulfanyl)-2-phenylacetic acid
CID 3769169
ethyl 2-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 4215757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide (CID 97227152) is (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide is CC(C)(C)c1cnc(S[C@H](C(N)=O)c2ccccc2)o1.
What is the InChIKey of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide?
The InChIKey is NMPXUWWSSZRTAL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(2,3)11-9-17-14(19-11)20-12(13(16)18)10-7-5-4-6-8-10/h4-9,12H,1-3H3,(H2,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide?
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 290.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 97227152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).