3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide

C16H19N3O3 — CID 46475945

IUPAC3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)on1
InChIInChI=1S/C16H19N3O3/c1-9(2)15(20)17-12-6-5-10(3)13(8-12)18-16(21)14-7-11(4)19-22-14/h5-9H,1-4H3,(H,17,20)(H,18,21)
InChIKeyPWPKXGQRBRVENX-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.14
Rot. Bonds4

About 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 46475945) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID46475945
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)on1
InChIInChI=1S/C16H19N3O3/c1-9(2)15(20)17-12-6-5-10(3)13(8-12)18-16(21)14-7-11(4)19-22-14/h5-9H,1-4H3,(H,17,20)(H,18,21)
InChIKeyPWPKXGQRBRVENX-UHFFFAOYSA-N
XLogP3.14
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 46476032
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 131933449
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 46475612
1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 86991547
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide
CID 26017452
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
N-(3-ethyl-4-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 166206533

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide (CID 46475945) is 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)on1.
What is the InChIKey of 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is PWPKXGQRBRVENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9(2)15(20)17-12-6-5-10(3)13(8-12)18-16(21)14-7-11(4)19-22-14/h5-9H,1-4H3,(H,17,20)(H,18,21).
What are the key properties of 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46475945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).