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

C15H17BrN2O2S — CID 94073665

IUPAC2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H17BrN2O2S/c1-3-10(2)18-14(19)9-21-15-17-8-13(20-15)11-4-6-12(16)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeySUXVVLDKTHWATM-JTQLQIEISA-N
MW369.28 g/mol
LogP4.11
Rot. Bonds6

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

2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide (PubChem CID 94073665) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide
PubChem CID94073665
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C15H17BrN2O2S/c1-3-10(2)18-14(19)9-21-15-17-8-13(20-15)11-4-6-12(16)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeySUXVVLDKTHWATM-JTQLQIEISA-N
XLogP4.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide (CID 94073665) is 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is SUXVVLDKTHWATM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-3-10(2)18-14(19)9-21-15-17-8-13(20-15)11-4-6-12(16)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide?
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 369.28 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 94073665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).