4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

C18H20BrN3O3 — CID 3332799

IUPAC4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESO=C(CN(C(=O)c1ccc(Br)cc1)C1CCCCC1)Nc1ccon1
InChIInChI=1S/C18H20BrN3O3/c19-14-8-6-13(7-9-14)18(24)22(15-4-2-1-3-5-15)12-17(23)20-16-10-11-25-21-16/h6-11,15H,1-5,12H2,(H,20,21,23)
InChIKeyOQNXMTFXBSFWKA-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.85
Rot. Bonds5

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

4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 3332799) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
PubChem CID3332799
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC Name4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESO=C(CN(C(=O)c1ccc(Br)cc1)C1CCCCC1)Nc1ccon1
InChIInChI=1S/C18H20BrN3O3/c19-14-8-6-13(7-9-14)18(24)22(15-4-2-1-3-5-15)12-17(23)20-16-10-11-25-21-16/h6-11,15H,1-5,12H2,(H,20,21,23)
InChIKeyOQNXMTFXBSFWKA-UHFFFAOYSA-N
XLogP3.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 813744
N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 813740
N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 813750
4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
CID 19754888
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 42769101
2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42771670
2-[cyclohexylmethyl(ethylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 5054889
4-bromo-N-cyclohexyl-N-hexylbenzamide
CID 54086681
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 7327164
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42769032
N-(1,2-oxazol-3-yl)cyclopentanecarboxamide
CID 17218146

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (CID 3332799) is 4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is O=C(CN(C(=O)c1ccc(Br)cc1)C1CCCCC1)Nc1ccon1.
What is the InChIKey of 4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is OQNXMTFXBSFWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c19-14-8-6-13(7-9-14)18(24)22(15-4-2-1-3-5-15)12-17(23)20-16-10-11-25-21-16/h6-11,15H,1-5,12H2,(H,20,21,23).
What are the key properties of 4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 406.28 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 3332799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).