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

C16H19N3O3 — CID 5085996

IUPACN-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCCC(C)N(CC(=O)Nc1ccon1)C(=O)c1ccccc1
InChIInChI=1S/C16H19N3O3/c1-3-12(2)19(16(21)13-7-5-4-6-8-13)11-15(20)17-14-9-10-22-18-14/h4-10,12H,3,11H2,1-2H3,(H,17,18,20)
InChIKeyWHEXWWWGMNBJIE-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.55
Rot. Bonds6

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

N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 5085996) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
PubChem CID5085996
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCCC(C)N(CC(=O)Nc1ccon1)C(=O)c1ccccc1
InChIInChI=1S/C16H19N3O3/c1-3-12(2)19(16(21)13-7-5-4-6-8-13)11-15(20)17-14-9-10-22-18-14/h4-10,12H,3,11H2,1-2H3,(H,17,18,20)
InChIKeyWHEXWWWGMNBJIE-UHFFFAOYSA-N
XLogP2.55
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42769002
N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 42770908
(E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 813648
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470
N-[(2R)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 7356137
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-butan-2-yl-4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3559982
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 813725
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide
CID 42769111
2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid
CID 94000771
N-ethyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 814467

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (CID 5085996) is N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is CCC(C)N(CC(=O)Nc1ccon1)C(=O)c1ccccc1.
What is the InChIKey of N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is WHEXWWWGMNBJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-12(2)19(16(21)13-7-5-4-6-8-13)11-15(20)17-14-9-10-22-18-14/h4-10,12H,3,11H2,1-2H3,(H,17,18,20).
What are the key properties of N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 301.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 5085996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).