2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine

C18H23N3O2 — CID 167876480

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine
SMILESCOc1ccc(-c2noc(C3CC4(CCC(N)CC4)C3)n2)cc1
InChIInChI=1S/C18H23N3O2/c1-22-15-4-2-12(3-5-15)16-20-17(23-21-16)13-10-18(11-13)8-6-14(19)7-9-18/h2-5,13-14H,6-11,19H2,1H3
InChIKeyJFRQRIPKBCQBPO-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.51
Rot. Bonds3

About 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine (PubChem CID 167876480) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine
PubChem CID167876480
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine
SMILESCOc1ccc(-c2noc(C3CC4(CCC(N)CC4)C3)n2)cc1
InChIInChI=1S/C18H23N3O2/c1-22-15-4-2-12(3-5-15)16-20-17(23-21-16)13-10-18(11-13)8-6-14(19)7-9-18/h2-5,13-14H,6-11,19H2,1H3
InChIKeyJFRQRIPKBCQBPO-UHFFFAOYSA-N
XLogP3.51
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323187
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 137439420
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552019
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345681
cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323133
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 42760461
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 154385499
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 61292404

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine (CID 167876480) is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine is COc1ccc(-c2noc(C3CC4(CCC(N)CC4)C3)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine?
The InChIKey is JFRQRIPKBCQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-22-15-4-2-12(3-5-15)16-20-17(23-21-16)13-10-18(11-13)8-6-14(19)7-9-18/h2-5,13-14H,6-11,19H2,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine?
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine has a molecular weight of 313.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]spiro[3.5]nonan-7-amine is sourced from PubChem (CID 167876480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).