N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide

C17H16N2O4 — CID 126850888

IUPACN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(-c3ccco3)cc2)no1
InChIInChI=1S/C17H16N2O4/c1-11-9-14(19-23-11)17(21)18-10-15(20)12-4-6-13(7-5-12)16-3-2-8-22-16/h2-9,15,20H,10H2,1H3,(H,18,21)
InChIKeyHQMPDSHLYYJCHW-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.71
Rot. Bonds5

About N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 126850888) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID126850888
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(-c3ccco3)cc2)no1
InChIInChI=1S/C17H16N2O4/c1-11-9-14(19-23-11)17(21)18-10-15(20)12-4-6-13(7-5-12)16-3-2-8-22-16/h2-9,15,20H,10H2,1H3,(H,18,21)
InChIKeyHQMPDSHLYYJCHW-UHFFFAOYSA-N
XLogP2.71
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 126854868
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 99780009
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide
CID 126852760
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124877563
N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113271445
N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103770495
6-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-2-methylpyridine-3-carboxamide
CID 95286219
1-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 126852737
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 110304153

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 126850888) is N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(O)c2ccc(-c3ccco3)cc2)no1.
What is the InChIKey of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HQMPDSHLYYJCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11-9-14(19-23-11)17(21)18-10-15(20)12-4-6-13(7-5-12)16-3-2-8-22-16/h2-9,15,20H,10H2,1H3,(H,18,21).
What are the key properties of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126850888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).