[4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone

C17H21N5O5 — CID 171318381

IUPAC[4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1CCOC2(C1)CN(C(=O)c1nccn1C)CCO2
InChIInChI=1S/C17H21N5O5/c1-12-13(19-11-25-12)15(23)21-5-7-26-17(9-21)10-22(6-8-27-17)16(24)14-18-3-4-20(14)2/h3-4,11H,5-10H2,1-2H3
InChIKeyFSYBECGOZQAOJV-UHFFFAOYSA-N
MW375.39 g/mol
LogP0.06
Rot. Bonds2

About [4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone

[4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 171318381) has the molecular formula C17H21N5O5 and a molecular weight of 375.39 g/mol. Its IUPAC name is [4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
PubChem CID171318381
Molecular FormulaC17H21N5O5
Molecular Weight375.39 g/mol
Exact Mass375.15
IUPAC Name[4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1CCOC2(C1)CN(C(=O)c1nccn1C)CCO2
InChIInChI=1S/C17H21N5O5/c1-12-13(19-11-25-12)15(23)21-5-7-26-17(9-21)10-22(6-8-27-17)16(24)14-18-3-4-20(14)2/h3-4,11H,5-10H2,1-2H3
InChIKeyFSYBECGOZQAOJV-UHFFFAOYSA-N
XLogP0.06
TPSA102.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (CID 171318381) is [4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is Cc1ocnc1C(=O)N1CCOC2(C1)CN(C(=O)c1nccn1C)CCO2.
What is the InChIKey of [4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is FSYBECGOZQAOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5/c1-12-13(19-11-25-12)15(23)21-5-7-26-17(9-21)10-22(6-8-27-17)16(24)14-18-3-4-20(14)2/h3-4,11H,5-10H2,1-2H3.
What are the key properties of [4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
[4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 375.39 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 171318381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).