5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide

C16H19N3O3 — CID 51333269

IUPAC5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)no1
InChIInChI=1S/C16H19N3O3/c1-10(2)15(20)18-13-6-4-12(5-7-13)9-17-16(21)14-8-11(3)22-19-14/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyLBYFBQVHYWKBJO-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.51
Rot. Bonds5

About 5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 51333269) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID51333269
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)no1
InChIInChI=1S/C16H19N3O3/c1-10(2)15(20)18-13-6-4-12(5-7-13)9-17-16(21)14-8-11(3)22-19-14/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyLBYFBQVHYWKBJO-UHFFFAOYSA-N
XLogP2.51
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51327722
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 106910403
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 37267775
5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 37292469
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
CID 59224444
3-iodo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 18204122
4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78895679
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
2-methyl-3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropanoic acid
CID 114897148

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 51333269) is 5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)no1.
What is the InChIKey of 5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LBYFBQVHYWKBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10(2)15(20)18-13-6-4-12(5-7-13)9-17-16(21)14-8-11(3)22-19-14/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51333269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).