3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H17ClN4O3 — CID 72859179

IUPAC3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C16H17ClN4O3/c17-12-4-2-1-3-11(12)14-19-13(24-20-14)9-21-10-16(23-15(21)22)5-7-18-8-6-16/h1-4,18H,5-10H2
InChIKeyNANSMMPICHGBJE-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.46
Rot. Bonds3

About 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 72859179) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID72859179
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C16H17ClN4O3/c17-12-4-2-1-3-11(12)14-19-13(24-20-14)9-21-10-16(23-15(21)22)5-7-18-8-6-16/h1-4,18H,5-10H2
InChIKeyNANSMMPICHGBJE-UHFFFAOYSA-N
XLogP2.46
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 154570489
3-(1,3-benzothiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72881914
3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 65462794
3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608442
3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72923701
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 65250028
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24521967
(4S)-3'-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 41143646
8-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901837
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178100840
3-(2-chlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655428

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 72859179) is 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCNCC2)CN1Cc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NANSMMPICHGBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c17-12-4-2-1-3-11(12)14-19-13(24-20-14)9-21-10-16(23-15(21)22)5-7-18-8-6-16/h1-4,18H,5-10H2.
What are the key properties of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.79 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72859179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).