2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide

C12H19N3O4 — CID 137202884

IUPAC2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NCCc1noc(=O)[nH]1
InChIInChI=1S/C12H19N3O4/c16-10(8-12(18)5-2-1-3-6-12)13-7-4-9-14-11(17)19-15-9/h18H,1-8H2,(H,13,16)(H,14,15,17)
InChIKeyGEKPTMGTDQSYRN-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.11
Rot. Bonds5

About 2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide

2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 137202884) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID137202884
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NCCc1noc(=O)[nH]1
InChIInChI=1S/C12H19N3O4/c16-10(8-12(18)5-2-1-3-6-12)13-7-4-9-14-11(17)19-15-9/h18H,1-8H2,(H,13,16)(H,14,15,17)
InChIKeyGEKPTMGTDQSYRN-UHFFFAOYSA-N
XLogP0.11
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 75388439
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111536745
2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide
CID 110023964
N-[2-(3,5-difluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430826
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540672
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111520426
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
3-propyl-4H-1,2,4-oxadiazol-5-one
CID 170707204
N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 111430885
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111464495
2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 111464650
3-(2-chloroethyl)-4H-1,2,4-oxadiazol-5-one
CID 137213545

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 137202884) is 2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide is O=C(CC1(O)CCCCC1)NCCc1noc(=O)[nH]1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is GEKPTMGTDQSYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-10(8-12(18)5-2-1-3-6-12)13-7-4-9-14-11(17)19-15-9/h18H,1-8H2,(H,13,16)(H,14,15,17).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 269.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 137202884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).