(4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C23H30N4O2 — CID 97437391

IUPAC(4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)no1
InChIInChI=1S/C23H30N4O2/c1-2-21-24-20(25-29-21)15-26-12-10-23(11-13-26)14-19(17-6-4-3-5-7-17)22(28)27(16-23)18-8-9-18/h3-7,18-19H,2,8-16H2,1H3/t19-/m0/s1
InChIKeyRBSNJQBBZSNYRW-IBGZPJMESA-N
MW394.52 g/mol
LogP3.39
Rot. Bonds5

About (4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

(4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97437391) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97437391
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)no1
InChIInChI=1S/C23H30N4O2/c1-2-21-24-20(25-29-21)15-26-12-10-23(11-13-26)14-19(17-6-4-3-5-7-17)22(28)27(16-23)18-8-9-18/h3-7,18-19H,2,8-16H2,1H3/t19-/m0/s1
InChIKeyRBSNJQBBZSNYRW-IBGZPJMESA-N
XLogP3.39
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97437391) is (4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is CCc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)no1.
What is the InChIKey of (4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RBSNJQBBZSNYRW-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N4O2/c1-2-21-24-20(25-29-21)15-26-12-10-23(11-13-26)14-19(17-6-4-3-5-7-17)22(28)27(16-23)18-8-9-18/h3-7,18-19H,2,8-16H2,1H3/t19-/m0/s1.
What are the key properties of (4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
(4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 394.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97437391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).