2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C18H23N7O3 — CID 119074781

IUPAC2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1c(-c2cc(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)no2)cnn1C
InChIInChI=1S/C18H23N7O3/c1-11-12(10-19-24(11)4)14-9-13(22-28-14)15(26)25-7-5-18(6-8-25)16(27)20-17(21-18)23(2)3/h9-10H,5-8H2,1-4H3,(H,20,21,27)
InChIKeyXJOICYQXHNVZAI-UHFFFAOYSA-N
MW385.43 g/mol
LogP0.41
Rot. Bonds2

About 2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 119074781) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID119074781
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1c(-c2cc(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)no2)cnn1C
InChIInChI=1S/C18H23N7O3/c1-11-12(10-19-24(11)4)14-9-13(22-28-14)15(26)25-7-5-18(6-8-25)16(27)20-17(21-18)23(2)3/h9-10H,5-8H2,1-4H3,(H,20,21,27)
InChIKeyXJOICYQXHNVZAI-UHFFFAOYSA-N
XLogP0.41
TPSA108.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97110759
2-(dimethylamino)-8-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 122131164
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72841576
2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118781576
2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 135100603
4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 56876330
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70777701
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
CID 157016584
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 46968410
2-(dimethylamino)-8-[(E)-3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131949792
2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118784762
2-(dimethylamino)-8-[(5S)-5-propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 126439526

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 119074781) is 2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is Cc1c(-c2cc(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)no2)cnn1C.
What is the InChIKey of 2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is XJOICYQXHNVZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-11-12(10-19-24(11)4)14-9-13(22-28-14)15(26)25-7-5-18(6-8-25)16(27)20-17(21-18)23(2)3/h9-10H,5-8H2,1-4H3,(H,20,21,27).
What are the key properties of 2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 385.43 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 119074781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).