(3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone

C14H15N5O5S — CID 131696669

IUPAC(3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
SMILESCOc1cc(C(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)on1
InChIInChI=1S/C14H15N5O5S/c1-23-10-5-9(24-17-10)13(20)18-6-14(7-18)8-19(25(2,21)22)12-11(14)15-3-4-16-12/h3-5H,6-8H2,1-2H3
InChIKeyYUQANJYPRIDCAT-UHFFFAOYSA-N
MW365.37 g/mol
LogP-0.35
Rot. Bonds3

About (3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone

(3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone (PubChem CID 131696669) has the molecular formula C14H15N5O5S and a molecular weight of 365.37 g/mol. Its IUPAC name is (3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
PubChem CID131696669
Molecular FormulaC14H15N5O5S
Molecular Weight365.37 g/mol
Exact Mass365.08
IUPAC Name(3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
SMILESCOc1cc(C(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)on1
InChIInChI=1S/C14H15N5O5S/c1-23-10-5-9(24-17-10)13(20)18-6-14(7-18)8-19(25(2,21)22)12-11(14)15-3-4-16-12/h3-5H,6-8H2,1-2H3
InChIKeyYUQANJYPRIDCAT-UHFFFAOYSA-N
XLogP-0.35
TPSA118.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
CID 131696996
2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone
CID 131696682
4-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 138993831
methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
CID 90573723
(3-methoxy-1,2-oxazol-5-yl)-(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131681792
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573953
(3-methoxy-1,2-oxazol-5-yl)-(7-prop-2-enyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131684045
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 68602043
N-cyclobutyl-5-(3-methoxy-1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683110
(3-methoxy-1,2-oxazol-5-yl)-[4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131685917
(3-methoxy-1,2-oxazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90573958
3,8-diazabicyclo[4.2.0]octan-3-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 68601554

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
The IUPAC name of (3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone (CID 131696669) is (3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone.
What is the SMILES notation for (3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
The canonical SMILES for (3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone is COc1cc(C(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)on1.
What is the InChIKey of (3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
The InChIKey is YUQANJYPRIDCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O5S/c1-23-10-5-9(24-17-10)13(20)18-6-14(7-18)8-19(25(2,21)22)12-11(14)15-3-4-16-12/h3-5H,6-8H2,1-2H3.
What are the key properties of (3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
(3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone has a molecular weight of 365.37 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone is sourced from PubChem (CID 131696669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).