N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide

C23H18N4O2S — CID 8875016

IUPACN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide
SMILESCN(Cc1nc(-c2ccccc2)no1)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H18N4O2S/c1-26(15-21-24-22(25-29-21)16-9-3-2-4-10-16)23(28)27-17-11-5-7-13-19(17)30-20-14-8-6-12-18(20)27/h2-14H,15H2,1H3
InChIKeyGTGADMATODFELL-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.59
Rot. Bonds3

About N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide

N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide (PubChem CID 8875016) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide
PubChem CID8875016
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide
SMILESCN(Cc1nc(-c2ccccc2)no1)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H18N4O2S/c1-26(15-21-24-22(25-29-21)16-9-3-2-4-10-16)23(28)27-17-11-5-7-13-19(17)30-20-14-8-6-12-18(20)27/h2-14H,15H2,1H3
InChIKeyGTGADMATODFELL-UHFFFAOYSA-N
XLogP5.59
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
2-(methanesulfonamido)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70716129
N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
N-methyl-2-(4-methylphenyl)sulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50874866
3-benzylsulfanyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 50875142
(4R)-N,1-dimethyl-2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydroquinoline-4-carboxamide
CID 95883105
3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 46982575
2-(2-chlorophenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6462945
3-(4-fluorophenyl)-1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6462162
N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132658557

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide (CID 8875016) is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide is CN(Cc1nc(-c2ccccc2)no1)C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide?
The InChIKey is GTGADMATODFELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-26(15-21-24-22(25-29-21)16-9-3-2-4-10-16)23(28)27-17-11-5-7-13-19(17)30-20-14-8-6-12-18(20)27/h2-14H,15H2,1H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide?
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 8875016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).