[9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone

C21H34N4O3 — CID 56884778

IUPAC[9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone
SMILESCC(C)(CN1CCC2(CC1)CCN(C(=O)c1ccno1)CC2)N1CCOCC1
InChIInChI=1S/C21H34N4O3/c1-20(2,25-13-15-27-16-14-25)17-23-9-4-21(5-10-23)6-11-24(12-7-21)19(26)18-3-8-22-28-18/h3,8H,4-7,9-17H2,1-2H3
InChIKeyFDIOBTAAOPWQMZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.10
Rot. Bonds4

About [9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone

[9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 56884778) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is [9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID56884778
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name[9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone
SMILESCC(C)(CN1CCC2(CC1)CCN(C(=O)c1ccno1)CC2)N1CCOCC1
InChIInChI=1S/C21H34N4O3/c1-20(2,25-13-15-27-16-14-25)17-23-9-4-21(5-10-23)6-11-24(12-7-21)19(26)18-3-8-22-28-18/h3,8H,4-7,9-17H2,1-2H3
InChIKeyFDIOBTAAOPWQMZ-UHFFFAOYSA-N
XLogP2.10
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxa-7-azaspiro[4.4]nonan-7-yl(1,2-oxazol-5-yl)methanone
CID 131641455
4,5-dimethyl-9-(1,2-oxazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131645214
N-methyl-8-(1,2-oxazole-5-carbonyl)-8-azaspiro[4.5]decane-3-carboxamide
CID 134070327
(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone
CID 130666904
3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 43522114
[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone
CID 97397894
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492507
2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317773
[4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 66751030
[1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155839129
[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110693625

Frequently Asked Questions

What is the IUPAC name of [9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone (CID 56884778) is [9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone is CC(C)(CN1CCC2(CC1)CCN(C(=O)c1ccno1)CC2)N1CCOCC1.
What is the InChIKey of [9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is FDIOBTAAOPWQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-20(2,25-13-15-27-16-14-25)17-23-9-4-21(5-10-23)6-11-24(12-7-21)19(26)18-3-8-22-28-18/h3,8H,4-7,9-17H2,1-2H3.
What are the key properties of [9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone?
[9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 390.53 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-methyl-2-morpholin-4-ylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 56884778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).