N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide

C17H22N4O3 — CID 100643670

IUPACN-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(-c2coc(CC3CC3)n2)n1)NC1CCCCC1
InChIInChI=1S/C17H22N4O3/c22-15(18-12-4-2-1-3-5-12)9-14-20-17(24-21-14)13-10-23-16(19-13)8-11-6-7-11/h10-12H,1-9H2,(H,18,22)
InChIKeyQSBDWZGBGREKIH-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.67
Rot. Bonds6

About N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide

N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 100643670) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID100643670
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(-c2coc(CC3CC3)n2)n1)NC1CCCCC1
InChIInChI=1S/C17H22N4O3/c22-15(18-12-4-2-1-3-5-12)9-14-20-17(24-21-14)13-10-23-16(19-13)8-11-6-7-11/h10-12H,1-9H2,(H,18,22)
InChIKeyQSBDWZGBGREKIH-UHFFFAOYSA-N
XLogP2.67
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[5-(2,5-dioxaspiro[3.5]non-7-en-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 167951534
N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120835209
N-cyclopentyl-2-[5-(2-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 86801808
N-cyclopentyl-2-[5-[(2S)-2-hydroxy-3-methylbutyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 99716263
2-[5-[(E)-2-cyclohexyl-1-fluoroethenyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 138041785
N-cyclohexyl-2-[5-[(2S)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835213
N-cyclohexyl-2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266666
2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 95899316
2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 71876197
N-cyclopentyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677317
2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
CID 62234263
N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761277

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide (CID 100643670) is N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide is O=C(Cc1noc(-c2coc(CC3CC3)n2)n1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is QSBDWZGBGREKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15(18-12-4-2-1-3-5-12)9-14-20-17(24-21-14)13-10-23-16(19-13)8-11-6-7-11/h10-12H,1-9H2,(H,18,22).
What are the key properties of N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide?
N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 100643670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).