(3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone

C20H31N3O3 — CID 131679299

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC2(CCCN2CC2CCCO2)CC1
InChIInChI=1S/C20H31N3O3/c1-15-18(16(2)26-21-15)19(24)22-10-4-7-20(9-12-22)8-5-11-23(20)14-17-6-3-13-25-17/h17H,3-14H2,1-2H3
InChIKeyLIUMIMIHWVMTNF-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.93
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone (PubChem CID 131679299) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
PubChem CID131679299
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC2(CCCN2CC2CCCO2)CC1
InChIInChI=1S/C20H31N3O3/c1-15-18(16(2)26-21-15)19(24)22-10-4-7-20(9-12-22)8-5-11-23(20)14-17-6-3-13-25-17/h17H,3-14H2,1-2H3
InChIKeyLIUMIMIHWVMTNF-UHFFFAOYSA-N
XLogP2.93
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155855870
(3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 124819663
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500616
11-(cyclobutylmethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 135101012
(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 163314299
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494034
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395135
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125770
(7-tert-butyl-1,4-oxazepan-4-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 138009760
[4-(cyclopropylmethyl)-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 131652948

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone (CID 131679299) is (3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone is Cc1noc(C)c1C(=O)N1CCCC2(CCCN2CC2CCCO2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone?
The InChIKey is LIUMIMIHWVMTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15-18(16(2)26-21-15)19(24)22-10-4-7-20(9-12-22)8-5-11-23(20)14-17-6-3-13-25-17/h17H,3-14H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone is sourced from PubChem (CID 131679299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).