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

C18H23N3O3 — CID 131943646

IUPACN-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C(C)C)on2)c1
InChIInChI=1S/C18H23N3O3/c1-5-6-17(22)19-13-8-7-12(4)14(9-13)20-18(23)15-10-16(11(2)3)24-21-15/h7-11H,5-6H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyQYVLJOHRHLHCJF-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.10
Rot. Bonds6

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

N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 131943646) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID131943646
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C(C)C)on2)c1
InChIInChI=1S/C18H23N3O3/c1-5-6-17(22)19-13-8-7-12(4)14(9-13)20-18(23)15-10-16(11(2)3)24-21-15/h7-11H,5-6H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyQYVLJOHRHLHCJF-UHFFFAOYSA-N
XLogP4.10
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911420
N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 3076174
N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 131933449
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 46475945
N-(3-acetyl-4-methylphenyl)butanamide;ethane
CID 153353610
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110041
N-[3-methyl-4-(methylamino)phenyl]butanamide
CID 175204219
5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 75514521
2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 46478243
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281

Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 131943646) is N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CCCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C(C)C)on2)c1.
What is the InChIKey of N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is QYVLJOHRHLHCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-6-17(22)19-13-8-7-12(4)14(9-13)20-18(23)15-10-16(11(2)3)24-21-15/h7-11H,5-6H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-2-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131943646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).