N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C12H15N3O3 — CID 71781566

IUPACN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2cccn2C)no1
InChIInChI=1S/C12H15N3O3/c1-8-6-9(14-18-8)12(17)13-7-11(16)10-4-3-5-15(10)2/h3-6,11,16H,7H2,1-2H3,(H,13,17)
InChIKeyZNYPRAYUFNKIRM-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.78
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 71781566) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID71781566
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2cccn2C)no1
InChIInChI=1S/C12H15N3O3/c1-8-6-9(14-18-8)12(17)13-7-11(16)10-4-3-5-15(10)2/h3-6,11,16H,7H2,1-2H3,(H,13,17)
InChIKeyZNYPRAYUFNKIRM-UHFFFAOYSA-N
XLogP0.78
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 71781566) is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(O)c2cccn2C)no1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZNYPRAYUFNKIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-6-9(14-18-8)12(17)13-7-11(16)10-4-3-5-15(10)2/h3-6,11,16H,7H2,1-2H3,(H,13,17).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71781566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).