(10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide

C17H21N5O5 — CID 170287391

IUPAC(10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide
SMILESCOc1c2n(cc(C(N)=O)c1=O)C1CN(C2=O)[C@@H](C)CCC12N=C(C)NO2
InChIInChI=1S/C17H21N5O5/c1-8-4-5-17(19-9(2)20-27-17)11-7-21(8)16(25)12-14(26-3)13(23)10(15(18)24)6-22(11)12/h6,8,11H,4-5,7H2,1-3H3,(H2,18,24)(H,19,20)/t8-,11?,17?/m0/s1
InChIKeyVZBKMMJXGHGOCI-WRIRAEIUSA-N
MW375.39 g/mol
LogP-0.22
Rot. Bonds2

About (10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide

(10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide (PubChem CID 170287391) has the molecular formula C17H21N5O5 and a molecular weight of 375.39 g/mol. Its IUPAC name is (10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide.

Molecular Properties

Compound Name(10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide
PubChem CID170287391
Molecular FormulaC17H21N5O5
Molecular Weight375.39 g/mol
Exact Mass375.15
IUPAC Name(10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide
SMILESCOc1c2n(cc(C(N)=O)c1=O)C1CN(C2=O)[C@@H](C)CCC12N=C(C)NO2
InChIInChI=1S/C17H21N5O5/c1-8-4-5-17(19-9(2)20-27-17)11-7-21(8)16(25)12-14(26-3)13(23)10(15(18)24)6-22(11)12/h6,8,11H,4-5,7H2,1-3H3,(H2,18,24)(H,19,20)/t8-,11?,17?/m0/s1
InChIKeyVZBKMMJXGHGOCI-WRIRAEIUSA-N
XLogP-0.22
TPSA128.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169236937
(1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170167856
(1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170305155
6'-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169236848
(1R,10S,13S)-6-hydroxy-3'-methoxy-10-methyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxylic acid
CID 169314920
(1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide
CID 174172033
(1'R,5R,10'S)-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxy-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170169274
(1'R,5S,10'S)-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxy-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170170830
(1'R,5S,10'S)-6'-hydroxy-3,10'-dimethyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,4,2-oxathiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170169694
(1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170169325
(1R,10S,13S)-6-methoxy-10-methyl-5,8-dioxo-3'-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314384
2-[(2,4-difluorophenyl)methyl]-4-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170168616

Frequently Asked Questions

What is the IUPAC name of (10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide?
The IUPAC name of (10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide (CID 170287391) is (10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide.
What is the SMILES notation for (10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide?
The canonical SMILES for (10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide is COc1c2n(cc(C(N)=O)c1=O)C1CN(C2=O)[C@@H](C)CCC12N=C(C)NO2.
What is the InChIKey of (10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide?
The InChIKey is VZBKMMJXGHGOCI-WRIRAEIUSA-N. The full InChI is InChI=1S/C17H21N5O5/c1-8-4-5-17(19-9(2)20-27-17)11-7-21(8)16(25)12-14(26-3)13(23)10(15(18)24)6-22(11)12/h6,8,11H,4-5,7H2,1-3H3,(H2,18,24)(H,19,20)/t8-,11?,17?/m0/s1.
What are the key properties of (10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide?
(10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide has a molecular weight of 375.39 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-6-methoxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-2H-1,2,4-oxadiazole]-4-carboxamide is sourced from PubChem (CID 170287391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).