2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H25N5O3 — CID 72915596

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ocnc1C(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1
InChIInChI=1S/C19H25N5O3/c1-14-17(22-13-27-14)18(26)23-8-5-19(6-9-23)4-2-16(25)24(11-19)7-3-15-10-20-12-21-15/h10,12-13H,2-9,11H2,1H3,(H,20,21)
InChIKeyWXNHSGDLHAXSRN-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.79
Rot. Bonds4

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

2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72915596) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72915596
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ocnc1C(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1
InChIInChI=1S/C19H25N5O3/c1-14-17(22-13-27-14)18(26)23-8-5-19(6-9-23)4-2-16(25)24(11-19)7-3-15-10-20-12-21-15/h10,12-13H,2-9,11H2,1H3,(H,20,21)
InChIKeyWXNHSGDLHAXSRN-UHFFFAOYSA-N
XLogP1.79
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72915596) is 2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1ocnc1C(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WXNHSGDLHAXSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-14-17(22-13-27-14)18(26)23-8-5-19(6-9-23)4-2-16(25)24(11-19)7-3-15-10-20-12-21-15/h10,12-13H,2-9,11H2,1H3,(H,20,21).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-methyl-1,3-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72915596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).