N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide

C14H16N2O3 — CID 17253303

IUPACN-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(C)ccc2O)no1
InChIInChI=1S/C14H16N2O3/c1-3-4-10-8-12(16-19-10)14(18)15-11-7-9(2)5-6-13(11)17/h5-8,17H,3-4H2,1-2H3,(H,15,18)
InChIKeyHKOLXRFXVWGABV-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.89
Rot. Bonds4

About N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 17253303) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID17253303
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(C)ccc2O)no1
InChIInChI=1S/C14H16N2O3/c1-3-4-10-8-12(16-19-10)14(18)15-11-7-9(2)5-6-13(11)17/h5-8,17H,3-4H2,1-2H3,(H,15,18)
InChIKeyHKOLXRFXVWGABV-UHFFFAOYSA-N
XLogP2.89
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093763
5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)isoxazole-3-carboxamide
CID 15988802
N-(2-hydroxy-5-methylphenyl)-5-(2-thienyl)-3-isoxazolecarboxamide
CID 17253067
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
N-(2-hydroxyphenyl)-2-(3-methyl-5-isoxazolyl)benzamide
CID 2815026
N-(3-hydroxyphenyl)-5-isobutylisoxazole-3-carboxamide
CID 16194030
N-(2-hydroxy-5-methylphenyl)-5-isopropyl-4-nitroisoxazole-3-carboxamide
CID 16194498
4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868353
N-cyclohexyl-5-(4-hydroxyphenyl)-3-isoxazolecarboxamide
CID 135573119
N-(3-acetylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 973882
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamide
CID 5308779

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 17253303) is N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2cc(C)ccc2O)no1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is HKOLXRFXVWGABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-4-10-8-12(16-19-10)14(18)15-11-7-9(2)5-6-13(11)17/h5-8,17H,3-4H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).