(3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

C22H29FN4O3 — CID 164629646

IUPAC(3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOc1ccc(C(=O)N2C[C@H](c3nnc(C(C)C)o3)C3(CCN(C)CC3)C2)cc1F
InChIInChI=1S/C22H29FN4O3/c1-14(2)19-24-25-20(30-19)16-12-27(13-22(16)7-9-26(3)10-8-22)21(28)15-5-6-18(29-4)17(23)11-15/h5-6,11,14,16H,7-10,12-13H2,1-4H3/t16-/m1/s1
InChIKeyCGFCHKCYESIQIX-MRXNPFEDSA-N
MW416.50 g/mol
LogP3.29
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

(3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 164629646) has the molecular formula C22H29FN4O3 and a molecular weight of 416.50 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID164629646
Molecular FormulaC22H29FN4O3
Molecular Weight416.50 g/mol
Exact Mass416.22
IUPAC Name(3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOc1ccc(C(=O)N2C[C@H](c3nnc(C(C)C)o3)C3(CCN(C)CC3)C2)cc1F
InChIInChI=1S/C22H29FN4O3/c1-14(2)19-24-25-20(30-19)16-12-27(13-22(16)7-9-26(3)10-8-22)21(28)15-5-6-18(29-4)17(23)11-15/h5-6,11,14,16H,7-10,12-13H2,1-4H3/t16-/m1/s1
InChIKeyCGFCHKCYESIQIX-MRXNPFEDSA-N
XLogP3.29
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 164629646) is (3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is COc1ccc(C(=O)N2C[C@H](c3nnc(C(C)C)o3)C3(CCN(C)CC3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is CGFCHKCYESIQIX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29FN4O3/c1-14(2)19-24-25-20(30-19)16-12-27(13-22(16)7-9-26(3)10-8-22)21(28)15-5-6-18(29-4)17(23)11-15/h5-6,11,14,16H,7-10,12-13H2,1-4H3/t16-/m1/s1.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 416.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[(4R)-8-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 164629646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).