N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide

C12H14N2O4 — CID 111481145

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2ccon2)o1
InChIInChI=1S/C12H14N2O4/c1-8-3-4-10(18-8)12(2,16)7-13-11(15)9-5-6-17-14-9/h3-6,16H,7H2,1-2H3,(H,13,15)
InChIKeyRBEIAEVKJCIILL-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.21
Rot. Bonds4

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 111481145) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID111481145
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2ccon2)o1
InChIInChI=1S/C12H14N2O4/c1-8-3-4-10(18-8)12(2,16)7-13-11(15)9-5-6-17-14-9/h3-6,16H,7H2,1-2H3,(H,13,15)
InChIKeyRBEIAEVKJCIILL-UHFFFAOYSA-N
XLogP1.21
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 111481297
N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111481633
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 111481518
N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 115364627
N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 83619403
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 111481130
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide (CID 111481145) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide is Cc1ccc(C(C)(O)CNC(=O)c2ccon2)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RBEIAEVKJCIILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8-3-4-10(18-8)12(2,16)7-13-11(15)9-5-6-17-14-9/h3-6,16H,7H2,1-2H3,(H,13,15).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 250.25 g/mol, XLogP of 1.21, 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-(5-methylfuran-2-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 111481145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).