5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole

C22H31N3O — CID 72921041

IUPAC5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole
SMILESCCN1CC(c2ccccc2)CC2(CCN(Cc3cc(C)no3)CC2)C1
InChIInChI=1S/C22H31N3O/c1-3-24-15-20(19-7-5-4-6-8-19)14-22(17-24)9-11-25(12-10-22)16-21-13-18(2)23-26-21/h4-8,13,20H,3,9-12,14-17H2,1-2H3
InChIKeyODBDKRWLDYMNIL-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.07
Rot. Bonds4

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

5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole (PubChem CID 72921041) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole
PubChem CID72921041
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole
SMILESCCN1CC(c2ccccc2)CC2(CCN(Cc3cc(C)no3)CC2)C1
InChIInChI=1S/C22H31N3O/c1-3-24-15-20(19-7-5-4-6-8-19)14-22(17-24)9-11-25(12-10-22)16-21-13-18(2)23-26-21/h4-8,13,20H,3,9-12,14-17H2,1-2H3
InChIKeyODBDKRWLDYMNIL-UHFFFAOYSA-N
XLogP4.07
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-N-methylfuran-2-carboxamide
CID 72938782
(4R)-2-ethyl-9-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97454779
(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97130354
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97149228
(4R)-2-ethyl-4-phenyl-9-[(1-prop-2-enylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecane
CID 97151517
(4S)-2-ethyl-4-phenyl-9-[(1-prop-2-enylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecane
CID 97151516
(3S)-2-acetyl-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97150435
5-[[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 97270180
(4R)-2-ethyl-4-phenyl-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 97444913
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone
CID 97120580
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1H-pyrrol-2-yl)methanone
CID 72881187

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole (CID 72921041) is 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole is CCN1CC(c2ccccc2)CC2(CCN(Cc3cc(C)no3)CC2)C1.
What is the InChIKey of 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole?
The InChIKey is ODBDKRWLDYMNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-3-24-15-20(19-7-5-4-6-8-19)14-22(17-24)9-11-25(12-10-22)16-21-13-18(2)23-26-21/h4-8,13,20H,3,9-12,14-17H2,1-2H3.
What are the key properties of 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole?
5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole has a molecular weight of 353.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 72921041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).