(13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C24H31N3O3 — CID 131681647

IUPAC(13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CN(Cc1ccccc1)CC21CCOC1
InChIInChI=1S/C24H31N3O3/c1-18-21(19(2)30-25-18)22(28)27-11-8-23(9-12-27)15-26(14-20-6-4-3-5-7-20)16-24(23)10-13-29-17-24/h3-7H,8-17H2,1-2H3
InChIKeyOARFUQUWBBCVBV-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.44
Rot. Bonds3

About (13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

(13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 131681647) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID131681647
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)CN(Cc1ccccc1)CC21CCOC1
InChIInChI=1S/C24H31N3O3/c1-18-21(19(2)30-25-18)22(28)27-11-8-23(9-12-27)15-26(14-20-6-4-3-5-7-20)16-24(23)10-13-29-17-24/h3-7H,8-17H2,1-2H3
InChIKeyOARFUQUWBBCVBV-UHFFFAOYSA-N
XLogP3.44
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3234594
1-benzyl-8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623129
3-[N-(2-cyanoethyl)-4-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]anilino]propanenitrile
CID 3870854
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-ethyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131652936
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 154741195
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125770
(3,5-dimethyl-1,2-oxazol-4-yl)-[1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131681549
(3,5-dimethyl-1,2-oxazol-4-yl)-[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 70711267
(4S)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97191794
(3,5-dimethyl-1,2-oxazol-4-yl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234281
4-[[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 37279046

Frequently Asked Questions

What is the IUPAC name of (13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 131681647) is (13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(Cc1ccccc1)CC21CCOC1.
What is the InChIKey of (13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is OARFUQUWBBCVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18-21(19(2)30-25-18)22(28)27-11-8-23(9-12-27)15-26(14-20-6-4-3-5-7-20)16-24(23)10-13-29-17-24/h3-7H,8-17H2,1-2H3.
What are the key properties of (13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
(13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 409.53 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (13-benzyl-3-oxa-9,13-diazadispiro[4.0.56.35]tetradecan-9-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 131681647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).