N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide

C17H25N3O2S — CID 119598840

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C17H25N3O2S/c1-11(2)8-17(4,10-18)20-15(21)7-14-12(3)22-16(19-14)13-5-6-23-9-13/h5-6,9,11H,7-8,10,18H2,1-4H3,(H,20,21)
InChIKeyNAFYEKFGVHBHNB-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.13
Rot. Bonds7

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

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 119598840) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
PubChem CID119598840
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C17H25N3O2S/c1-11(2)8-17(4,10-18)20-15(21)7-14-12(3)22-16(19-14)13-5-6-23-9-13/h5-6,9,11H,7-8,10,18H2,1-4H3,(H,20,21)
InChIKeyNAFYEKFGVHBHNB-UHFFFAOYSA-N
XLogP3.13
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.13
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-phenyl-1,3-oxazol-4-yl)acetamide
CID 119598949
N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 111484186
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119598322
N-[2-(aminomethyl)cyclopentyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119602831
4-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 100640260
N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119666734
2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid
CID 119201879
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95272119
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 97235423
N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide
CID 72691659
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95317942

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide (CID 119598840) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccsc2)nc1CC(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is NAFYEKFGVHBHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11(2)8-17(4,10-18)20-15(21)7-14-12(3)22-16(19-14)13-5-6-23-9-13/h5-6,9,11H,7-8,10,18H2,1-4H3,(H,20,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 119598840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).