2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide

C11H13N3O3 — CID 114182062

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESCc1cc(OCC(=O)NCc2cc[nH]c2)no1
InChIInChI=1S/C11H13N3O3/c1-8-4-11(14-17-8)16-7-10(15)13-6-9-2-3-12-5-9/h2-5,12H,6-7H2,1H3,(H,13,15)
InChIKeyWHPBDBAJEVTGHN-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.01
Rot. Bonds5

About 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide

2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 114182062) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID114182062
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESCc1cc(OCC(=O)NCc2cc[nH]c2)no1
InChIInChI=1S/C11H13N3O3/c1-8-4-11(14-17-8)16-7-10(15)13-6-9-2-3-12-5-9/h2-5,12H,6-7H2,1H3,(H,13,15)
InChIKeyWHPBDBAJEVTGHN-UHFFFAOYSA-N
XLogP1.01
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65109456
N-(3-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65034360
N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 115594509
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384989
2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385571
N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 113462718
N-(2-hydroxy-2-phenylethyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43394020
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 81065180
7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid
CID 43359027
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 31108342
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 17396950

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 114182062) is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide is Cc1cc(OCC(=O)NCc2cc[nH]c2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is WHPBDBAJEVTGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-8-4-11(14-17-8)16-7-10(15)13-6-9-2-3-12-5-9/h2-5,12H,6-7H2,1H3,(H,13,15).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide?
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 235.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 114182062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).