4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

C18H23N3O3 — CID 813708

IUPAC4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCCc1ccc(C(=O)N(CC(=O)Nc2ccon2)CC(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-4-14-5-7-15(8-6-14)18(23)21(11-13(2)3)12-17(22)19-16-9-10-24-20-16/h5-10,13H,4,11-12H2,1-3H3,(H,19,20,22)
InChIKeyQEMALIISPMMZLO-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.97
Rot. Bonds7

About 4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 813708) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
PubChem CID813708
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCCc1ccc(C(=O)N(CC(=O)Nc2ccon2)CC(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-4-14-5-7-15(8-6-14)18(23)21(11-13(2)3)12-17(22)19-16-9-10-24-20-16/h5-10,13H,4,11-12H2,1-3H3,(H,19,20,22)
InChIKeyQEMALIISPMMZLO-UHFFFAOYSA-N
XLogP2.97
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42769081
4-hexyl-N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087378
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470
4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
N-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 814489
N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 5085996
N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3649649
N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide
CID 3531170
N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42771623
N-(3-methylbutyl)-3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4078312
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 4087473

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (CID 813708) is 4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is CCc1ccc(C(=O)N(CC(=O)Nc2ccon2)CC(C)C)cc1.
What is the InChIKey of 4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is QEMALIISPMMZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-14-5-7-15(8-6-14)18(23)21(11-13(2)3)12-17(22)19-16-9-10-24-20-16/h5-10,13H,4,11-12H2,1-3H3,(H,19,20,22).
What are the key properties of 4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 813708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).