N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide

C11H12N2O4 — CID 121085807

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
SMILESCC(O)(CNC(=O)c1ccno1)c1ccco1
InChIInChI=1S/C11H12N2O4/c1-11(15,9-3-2-6-16-9)7-12-10(14)8-4-5-13-17-8/h2-6,15H,7H2,1H3,(H,12,14)
InChIKeyZSHGYFVMFIUXSU-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.91
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide (PubChem CID 121085807) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
PubChem CID121085807
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
SMILESCC(O)(CNC(=O)c1ccno1)c1ccco1
InChIInChI=1S/C11H12N2O4/c1-11(15,9-3-2-6-16-9)7-12-10(14)8-4-5-13-17-8/h2-6,15H,7H2,1H3,(H,12,14)
InChIKeyZSHGYFVMFIUXSU-UHFFFAOYSA-N
XLogP0.91
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154
5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95983656
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,2-oxazole-5-carboxamide
CID 90497502
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 111481899
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide (CID 121085807) is N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide is CC(O)(CNC(=O)c1ccno1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ZSHGYFVMFIUXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-11(15,9-3-2-6-16-9)7-12-10(14)8-4-5-13-17-8/h2-6,15H,7H2,1H3,(H,12,14).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide has a molecular weight of 236.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121085807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).