(1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone

C18H19N5O2S — CID 131672643

IUPAC(1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
SMILESCn1ccc(C(=O)N2CCC3(C2)Cn2c(-c4cccs4)cnc2CO3)n1
InChIInChI=1S/C18H19N5O2S/c1-21-6-4-13(20-21)17(24)22-7-5-18(11-22)12-23-14(15-3-2-8-26-15)9-19-16(23)10-25-18/h2-4,6,8-9H,5,7,10-12H2,1H3
InChIKeyNIWJCWNVKGSVPI-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.16
Rot. Bonds2

About (1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone

(1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone (PubChem CID 131672643) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
PubChem CID131672643
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name(1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
SMILESCn1ccc(C(=O)N2CCC3(C2)Cn2c(-c4cccs4)cnc2CO3)n1
InChIInChI=1S/C18H19N5O2S/c1-21-6-4-13(20-21)17(24)22-7-5-18(11-22)12-23-14(15-3-2-8-26-15)9-19-16(23)10-25-18/h2-4,6,8-9H,5,7,10-12H2,1H3
InChIKeyNIWJCWNVKGSVPI-UHFFFAOYSA-N
XLogP2.16
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
CID 131670043
(6-methyl-2-pyridinyl)-(3-thiophen-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)methanone
CID 131672243
[3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone
CID 131672565
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
N-ethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229523
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 103726970
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 56882248
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 131648665
(5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 126425152
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone
CID 131680955
2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131673740

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone (CID 131672643) is (1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone is Cn1ccc(C(=O)N2CCC3(C2)Cn2c(-c4cccs4)cnc2CO3)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone?
The InChIKey is NIWJCWNVKGSVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-21-6-4-13(20-21)17(24)22-7-5-18(11-22)12-23-14(15-3-2-8-26-15)9-19-16(23)10-25-18/h2-4,6,8-9H,5,7,10-12H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone?
(1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone has a molecular weight of 369.45 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone is sourced from PubChem (CID 131672643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).