N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide

C11H10N2O3 — CID 19439747

IUPACN-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H10N2O3/c1-7-10(6-12-16-7)11(15)13-8-2-4-9(14)5-3-8/h2-6,14H,1H3,(H,13,15)
InChIKeyUINQKGBHZHDNAC-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.94
Rot. Bonds2

About N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 19439747) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID19439747
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC NameN-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H10N2O3/c1-7-10(6-12-16-7)11(15)13-8-2-4-9(14)5-3-8/h2-6,14H,1H3,(H,13,15)
InChIKeyUINQKGBHZHDNAC-UHFFFAOYSA-N
XLogP1.94
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 15871088
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 119300729
5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 19871639
N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64787357
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 119300715
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 19439747) is N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UINQKGBHZHDNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-10(6-12-16-7)11(15)13-8-2-4-9(14)5-3-8/h2-6,14H,1H3,(H,13,15).
What are the key properties of N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 19439747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).