N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C17H21N3O4 — CID 131933449

IUPACN-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCOCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C(C)C)no2)c1
InChIInChI=1S/C17H21N3O4/c1-10(2)13-8-15(24-20-13)17(22)19-14-7-12(6-5-11(14)3)18-16(21)9-23-4/h5-8,10H,9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyCLBXFAFZDVKBOY-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.94
Rot. Bonds6

About N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 131933449) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID131933449
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCOCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C(C)C)no2)c1
InChIInChI=1S/C17H21N3O4/c1-10(2)13-8-15(24-20-13)17(22)19-14-7-12(6-5-11(14)3)18-16(21)9-23-4/h5-8,10H,9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyCLBXFAFZDVKBOY-UHFFFAOYSA-N
XLogP2.94
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 46475945
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 46476032
2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
CID 168522703
N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 131943646
N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948250
N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 131944660
2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 61027966
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 131902769
2-methoxy-N-[3-[[1-(methoxymethyl)cyclopentyl]methylcarbamoylamino]-4-methylphenyl]acetamide
CID 118766082
(3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 97436643
N-[3-[[[(2S)-butan-2-yl]-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-2-methoxyacetamide
CID 97435836
N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 131933449) is N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is COCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C(C)C)no2)c1.
What is the InChIKey of N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is CLBXFAFZDVKBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10(2)13-8-15(24-20-13)17(22)19-14-7-12(6-5-11(14)3)18-16(21)9-23-4/h5-8,10H,9H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131933449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).