N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

C10H11BrN2O2S — CID 91182266

IUPACN-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1C=C(c2ccc(Br)s2)NO1
InChIInChI=1S/C10H11BrN2O2S/c1-6(14)12-5-7-4-8(13-15-7)9-2-3-10(11)16-9/h2-4,7,13H,5H2,1H3,(H,12,14)
InChIKeyRFPALBOBZWHHEP-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.89
Rot. Bonds3

About N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 91182266) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID91182266
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC NameN-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1C=C(c2ccc(Br)s2)NO1
InChIInChI=1S/C10H11BrN2O2S/c1-6(14)12-5-7-4-8(13-15-7)9-2-3-10(11)16-9/h2-4,7,13H,5H2,1H3,(H,12,14)
InChIKeyRFPALBOBZWHHEP-UHFFFAOYSA-N
XLogP1.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 91182266) is N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NCC1C=C(c2ccc(Br)s2)NO1.
What is the InChIKey of N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is RFPALBOBZWHHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-6(14)12-5-7-4-8(13-15-7)9-2-3-10(11)16-9/h2-4,7,13H,5H2,1H3,(H,12,14).
What are the key properties of N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 303.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 91182266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).