N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide

C15H20N4O3S — CID 72691659

IUPACN-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C(N)=NOCc1nc(-c2ccsc2)oc1C
InChIInChI=1S/C15H20N4O3S/c1-9-12(17-13(22-9)11-5-6-23-8-11)7-21-19-14(16)15(3,4)18-10(2)20/h5-6,8H,7H2,1-4H3,(H2,16,19)(H,18,20)
InChIKeyIMWDNYUEKADBBR-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.42
Rot. Bonds6

About N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide

N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide (PubChem CID 72691659) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide
PubChem CID72691659
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C(N)=NOCc1nc(-c2ccsc2)oc1C
InChIInChI=1S/C15H20N4O3S/c1-9-12(17-13(22-9)11-5-6-23-8-11)7-21-19-14(16)15(3,4)18-10(2)20/h5-6,8H,7H2,1-4H3,(H2,16,19)(H,18,20)
InChIKeyIMWDNYUEKADBBR-UHFFFAOYSA-N
XLogP2.42
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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
N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 111484186
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
2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid
CID 119201879
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate
CID 174457972
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxyimino]butan-2-one
CID 136554626
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 97235423
4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole
CID 75519913
N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119666734
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95272119
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate
CID 71899790

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide?
The IUPAC name of N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide (CID 72691659) is N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide?
The canonical SMILES for N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide is CC(=O)NC(C)(C)C(N)=NOCc1nc(-c2ccsc2)oc1C.
What is the InChIKey of N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide?
The InChIKey is IMWDNYUEKADBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9-12(17-13(22-9)11-5-6-23-8-11)7-21-19-14(16)15(3,4)18-10(2)20/h5-6,8H,7H2,1-4H3,(H2,16,19)(H,18,20).
What are the key properties of N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide?
N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide has a molecular weight of 336.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-methyl-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methoxyimino]propan-2-yl]acetamide is sourced from PubChem (CID 72691659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).