(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H25N5O3 — CID 97284373

IUPAC(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ocnc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C19H25N5O3/c1-14-17(22-13-27-14)18(26)24-7-2-5-19(11-24)6-3-16(25)23(10-19)8-4-15-9-20-12-21-15/h9,12-13H,2-8,10-11H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyXWURLMIPRMNDSJ-IBGZPJMESA-N
MW371.44 g/mol
LogP1.79
Rot. Bonds4

About (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97284373) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97284373
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ocnc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C19H25N5O3/c1-14-17(22-13-27-14)18(26)24-7-2-5-19(11-24)6-3-16(25)23(10-19)8-4-15-9-20-12-21-15/h9,12-13H,2-8,10-11H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyXWURLMIPRMNDSJ-IBGZPJMESA-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 (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97284373) is (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1ocnc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1.
What is the InChIKey of (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is XWURLMIPRMNDSJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N5O3/c1-14-17(22-13-27-14)18(26)24-7-2-5-19(11-24)6-3-16(25)23(10-19)8-4-15-9-20-12-21-15/h9,12-13H,2-8,10-11H2,1H3,(H,20,21)/t19-/m0/s1.
What are the key properties of (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-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 (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97284373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).