N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide

C16H22N2O3S — CID 111484186

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C16H22N2O3S/c1-10(2)16(4,20)9-17-14(19)7-13-11(3)21-15(18-13)12-5-6-22-8-12/h5-6,8,10,20H,7,9H2,1-4H3,(H,17,19)
InChIKeyGXNNUWCWOXHWIK-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.78
Rot. Bonds6

About N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 111484186) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
PubChem CID111484186
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C16H22N2O3S/c1-10(2)16(4,20)9-17-14(19)7-13-11(3)21-15(18-13)12-5-6-22-8-12/h5-6,8,10,20H,7,9H2,1-4H3,(H,17,19)
InChIKeyGXNNUWCWOXHWIK-UHFFFAOYSA-N
XLogP2.78
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119598840
4-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 100640260
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95317942
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95272119
2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid
CID 119201879
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535706
N-[2-(aminomethyl)cyclopentyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119602831
N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119666734
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 97235423
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 166298149
N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide
CID 72691659

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide (CID 111484186) is N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccsc2)nc1CC(=O)NCC(C)(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is GXNNUWCWOXHWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-10(2)16(4,20)9-17-14(19)7-13-11(3)21-15(18-13)12-5-6-22-8-12/h5-6,8,10,20H,7,9H2,1-4H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 322.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 111484186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).