(3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C18H23N5O3 — CID 97391690

IUPAC(3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)[C@H](c2cnn(C)c2)CC12CCN(C(=O)c1ccno1)CC2
InChIInChI=1S/C18H23N5O3/c1-3-23-16(24)14(13-11-19-21(2)12-13)10-18(23)5-8-22(9-6-18)17(25)15-4-7-20-26-15/h4,7,11-12,14H,3,5-6,8-10H2,1-2H3/t14-/m0/s1
InChIKeyLVYLIUWMCNZJEN-AWEZNQCLSA-N
MW357.41 g/mol
LogP1.42
Rot. Bonds3

About (3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

(3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97391690) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97391690
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)[C@H](c2cnn(C)c2)CC12CCN(C(=O)c1ccno1)CC2
InChIInChI=1S/C18H23N5O3/c1-3-23-16(24)14(13-11-19-21(2)12-13)10-18(23)5-8-22(9-6-18)17(25)15-4-7-20-26-15/h4,7,11-12,14H,3,5-6,8-10H2,1-2H3/t14-/m0/s1
InChIKeyLVYLIUWMCNZJEN-AWEZNQCLSA-N
XLogP1.42
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97391690) is (3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is CCN1C(=O)[C@H](c2cnn(C)c2)CC12CCN(C(=O)c1ccno1)CC2.
What is the InChIKey of (3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LVYLIUWMCNZJEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-23-16(24)14(13-11-19-21(2)12-13)10-18(23)5-8-22(9-6-18)17(25)15-4-7-20-26-15/h4,7,11-12,14H,3,5-6,8-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
(3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 357.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97391690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).