N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

C17H21N3O3 — CID 4087470

IUPACN-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCC(C)CCN(CC(=O)Nc1ccon1)C(=O)c1ccccc1
InChIInChI=1S/C17H21N3O3/c1-13(2)8-10-20(17(22)14-6-4-3-5-7-14)12-16(21)18-15-9-11-23-19-15/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,18,19,21)
InChIKeyQULBJXQHPMCTAV-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.80
Rot. Bonds7

About N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 4087470) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
PubChem CID4087470
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCC(C)CCN(CC(=O)Nc1ccon1)C(=O)c1ccccc1
InChIInChI=1S/C17H21N3O3/c1-13(2)8-10-20(17(22)14-6-4-3-5-7-14)12-16(21)18-15-9-11-23-19-15/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,18,19,21)
InChIKeyQULBJXQHPMCTAV-UHFFFAOYSA-N
XLogP2.80
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4078312
4-hexyl-N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087378
4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 813708
4-methyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42769081
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 4087473
N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 5085996
2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769320
3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide
CID 813670
2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771763
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-phenylbenzamide
CID 4151736
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42771590
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (CID 4087470) is N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is CC(C)CCN(CC(=O)Nc1ccon1)C(=O)c1ccccc1.
What is the InChIKey of N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is QULBJXQHPMCTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13(2)8-10-20(17(22)14-6-4-3-5-7-14)12-16(21)18-15-9-11-23-19-15/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,18,19,21).
What are the key properties of N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 4087470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).