(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone

C20H25N3O2 — CID 3234726

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C20H25N3O2/c1-15-18(16(2)25-21-15)19(24)23-11-6-9-20(14-23)10-12-22(13-20)17-7-4-3-5-8-17/h3-5,7-8H,6,9-14H2,1-2H3/t20-/m0/s1
InChIKeyNKVBCPCRDJGXDY-FQEVSTJZSA-N
MW339.44 g/mol
LogP3.42
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3234726) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3234726
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C20H25N3O2/c1-15-18(16(2)25-21-15)19(24)23-11-6-9-20(14-23)10-12-22(13-20)17-7-4-3-5-8-17/h3-5,7-8H,6,9-14H2,1-2H3/t20-/m0/s1
InChIKeyNKVBCPCRDJGXDY-FQEVSTJZSA-N
XLogP3.42
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3234726) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone is Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is NKVBCPCRDJGXDY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-18(16(2)25-21-15)19(24)23-11-6-9-20(14-23)10-12-22(13-20)17-7-4-3-5-8-17/h3-5,7-8H,6,9-14H2,1-2H3/t20-/m0/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3234726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).