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

C16H13BrN2O3S — CID 45283817

IUPAC2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncc(-c2ccc(Br)cc2)o1)NCc1ccco1
InChIInChI=1S/C16H13BrN2O3S/c17-12-5-3-11(4-6-12)14-9-19-16(22-14)23-10-15(20)18-8-13-2-1-7-21-13/h1-7,9H,8,10H2,(H,18,20)
InChIKeyFFZGLGDHXLAVPV-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.11
Rot. Bonds6

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

2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 45283817) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID45283817
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC Name2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncc(-c2ccc(Br)cc2)o1)NCc1ccco1
InChIInChI=1S/C16H13BrN2O3S/c17-12-5-3-11(4-6-12)14-9-19-16(22-14)23-10-15(20)18-8-13-2-1-7-21-13/h1-7,9H,8,10H2,(H,18,20)
InChIKeyFFZGLGDHXLAVPV-UHFFFAOYSA-N
XLogP4.11
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 50773475
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773556
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080036
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(2S)-butan-2-yl]acetamide
CID 94073665
N-(furan-2-ylmethyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 865332
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
methyl 2-[[2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 50773749
2-[[2-(4-bromophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20851975
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
3-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 17047526
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 50773517
N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 27371621

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 45283817) is 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSc1ncc(-c2ccc(Br)cc2)o1)NCc1ccco1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FFZGLGDHXLAVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c17-12-5-3-11(4-6-12)14-9-19-16(22-14)23-10-15(20)18-8-13-2-1-7-21-13/h1-7,9H,8,10H2,(H,18,20).
What are the key properties of 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 393.26 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 45283817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).