2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride

C14H18ClN3O2 — CID 119729314

IUPAC2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride
SMILESCc1cc(CN(C)C(=O)CNc2ccccc2)no1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-11-8-13(16-19-11)10-17(2)14(18)9-15-12-6-4-3-5-7-12;/h3-8,15H,9-10H2,1-2H3;1H
InChIKeyKUKHZLXMBVUURF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.48
Rot. Bonds5

About 2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride

2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride (PubChem CID 119729314) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride
PubChem CID119729314
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride
SMILESCc1cc(CN(C)C(=O)CNc2ccccc2)no1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-11-8-13(16-19-11)10-17(2)14(18)9-15-12-6-4-3-5-7-12;/h3-8,15H,9-10H2,1-2H3;1H
InChIKeyKUKHZLXMBVUURF-UHFFFAOYSA-N
XLogP2.48
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide
CID 86979897
2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 115923697
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
CID 43588867
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(phenylcarbamoyl)acetamide
CID 36968374
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 60753578
N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 51119861
3-(3,4-difluorophenyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47194688
2-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714525
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86984764
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride (CID 119729314) is 2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride is Cc1cc(CN(C)C(=O)CNc2ccccc2)no1.Cl.
What is the InChIKey of 2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride?
The InChIKey is KUKHZLXMBVUURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-11-8-13(16-19-11)10-17(2)14(18)9-15-12-6-4-3-5-7-12;/h3-8,15H,9-10H2,1-2H3;1H.
What are the key properties of 2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride?
2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119729314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).