2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide

C28H24ClN5O5 — CID 137135832

IUPAC2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O
InChIInChI=1S/C28H24ClN5O5/c1-2-22(26(37)30-18-7-4-15(5-8-18)24-31-27(38)39-33-24)34-14-21-20(12-23(34)35)19-11-17(29)6-3-16(19)13-28(9-10-28)32-25(21)36/h3-8,11-12,14,22H,2,9-10,13H2,1H3,(H,30,37)(H,32,36)(H,31,33,38)
InChIKeyZUPOJXBRFRVQEB-UHFFFAOYSA-N
MW545.98 g/mol
LogP3.92
Rot. Bonds5

About 2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide

2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide (PubChem CID 137135832) has the molecular formula C28H24ClN5O5 and a molecular weight of 545.98 g/mol. Its IUPAC name is 2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide
PubChem CID137135832
Molecular FormulaC28H24ClN5O5
Molecular Weight545.98 g/mol
Exact Mass545.15
IUPAC Name2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O
InChIInChI=1S/C28H24ClN5O5/c1-2-22(26(37)30-18-7-4-15(5-8-18)24-31-27(38)39-33-24)34-14-21-20(12-23(34)35)19-11-17(29)6-3-16(19)13-28(9-10-28)32-25(21)36/h3-8,11-12,14,22H,2,9-10,13H2,1H3,(H,30,37)(H,32,36)(H,31,33,38)
InChIKeyZUPOJXBRFRVQEB-UHFFFAOYSA-N
XLogP3.92
TPSA139.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.98
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide?
The IUPAC name of 2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide (CID 137135832) is 2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide?
The canonical SMILES for 2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide is CCC(C(=O)Nc1ccc(-c2noc(=O)[nH]2)cc1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O.
What is the InChIKey of 2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide?
The InChIKey is ZUPOJXBRFRVQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O5/c1-2-22(26(37)30-18-7-4-15(5-8-18)24-31-27(38)39-33-24)34-14-21-20(12-23(34)35)19-11-17(29)6-3-16(19)13-28(9-10-28)32-25(21)36/h3-8,11-12,14,22H,2,9-10,13H2,1H3,(H,30,37)(H,32,36)(H,31,33,38).
What are the key properties of 2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide?
2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide has a molecular weight of 545.98 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15-chloro-4,8-dioxospiro[5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaene-10,1'-cyclopropane]-5-yl)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 137135832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).