N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide

C16H20N2O3 — CID 138055899

IUPACN-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(CCC(C)O)on2)c(C)c1
InChIInChI=1S/C16H20N2O3/c1-10-4-7-14(11(2)8-10)17-16(20)15-9-13(21-18-15)6-5-12(3)19/h4,7-9,12,19H,5-6H2,1-3H3,(H,17,20)
InChIKeyNHBBXBRWGFIBJK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.86
Rot. Bonds5

About N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide

N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide (PubChem CID 138055899) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
PubChem CID138055899
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(CCC(C)O)on2)c(C)c1
InChIInChI=1S/C16H20N2O3/c1-10-4-7-14(11(2)8-10)17-16(20)15-9-13(21-18-15)6-5-12(3)19/h4,7-9,12,19H,5-6H2,1-3H3,(H,17,20)
InChIKeyNHBBXBRWGFIBJK-UHFFFAOYSA-N
XLogP2.86
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253347
N-(2,4-dimethylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224341
N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950976
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 3073011
N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865070
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 110857188
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide (CID 138055899) is N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(CCC(C)O)on2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NHBBXBRWGFIBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-4-7-14(11(2)8-10)17-16(20)15-9-13(21-18-15)6-5-12(3)19/h4,7-9,12,19H,5-6H2,1-3H3,(H,17,20).
What are the key properties of N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide?
N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 138055899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).