N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C15H18N2O3 — CID 18164312

IUPACN-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2C(C)C)c(O)c1
InChIInChI=1S/C15H18N2O3/c1-8(2)14-13(10(4)17-20-14)15(19)16-11-6-5-9(3)7-12(11)18/h5-8,18H,1-4H3,(H,16,19)
InChIKeyPTMJJYZZNCFMLC-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.37
Rot. Bonds3

About N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 18164312) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID18164312
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2C(C)C)c(O)c1
InChIInChI=1S/C15H18N2O3/c1-8(2)14-13(10(4)17-20-14)15(19)16-11-6-5-9(3)7-12(11)18/h5-8,18H,1-4H3,(H,16,19)
InChIKeyPTMJJYZZNCFMLC-UHFFFAOYSA-N
XLogP3.37
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.37
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-(4-iodo-2-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47113050
3-methyl-N-[2-(methylcarbamoyl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110606688
N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110675294
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17414759
3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 110622826
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 26700940
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942
3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700945
N-[2-(2-hydroxyphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110614864

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 18164312) is N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)noc2C(C)C)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is PTMJJYZZNCFMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-8(2)14-13(10(4)17-20-14)15(19)16-11-6-5-9(3)7-12(11)18/h5-8,18H,1-4H3,(H,16,19).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18164312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).