N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide

C13H22N2O3 — CID 109381177

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C13H22N2O3/c1-8(2)11(16)13(4,5)6-14-12(17)10-9(3)18-7-15-10/h7-8,11,16H,6H2,1-5H3,(H,14,17)
InChIKeyVSHFCLVEWWBZGD-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.76
Rot. Bonds5

About N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 109381177) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID109381177
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C13H22N2O3/c1-8(2)11(16)13(4,5)6-14-12(17)10-9(3)18-7-15-10/h7-8,11,16H,6H2,1-5H3,(H,14,17)
InChIKeyVSHFCLVEWWBZGD-UHFFFAOYSA-N
XLogP1.76
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 109380773
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 109389252
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide
CID 122152979
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide
CID 109380934
2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methylsulfanylbenzamide
CID 109380612
2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethylpyridine-3-carboxamide
CID 110028174
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 111697544
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109381000

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide (CID 109381177) is N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCC(C)(C)C(O)C(C)C.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is VSHFCLVEWWBZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(2)11(16)13(4,5)6-14-12(17)10-9(3)18-7-15-10/h7-8,11,16H,6H2,1-5H3,(H,14,17).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 109381177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).