N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide

C25H27F2N7O5 — CID 178028328

IUPACN-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCc1nonc1C(=O)N[C@H](C(=O)Nc1cc([C@@H](COC)N2CC(F)(F)CNC2=O)ccn1)c1ccccc1
InChIInChI=1S/C25H27F2N7O5/c1-3-17-21(33-39-32-17)23(36)31-20(15-7-5-4-6-8-15)22(35)30-19-11-16(9-10-28-19)18(12-38-2)34-14-25(26,27)13-29-24(34)37/h4-11,18,20H,3,12-14H2,1-2H3,(H,29,37)(H,31,36)(H,28,30,35)/t18-,20+/m1/s1
InChIKeyOESINRDTZWQATI-QUCCMNQESA-N
MW543.53 g/mol
LogP2.48
Rot. Bonds10

About N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide

N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 178028328) has the molecular formula C25H27F2N7O5 and a molecular weight of 543.53 g/mol. Its IUPAC name is N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID178028328
Molecular FormulaC25H27F2N7O5
Molecular Weight543.53 g/mol
Exact Mass543.20
IUPAC NameN-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCc1nonc1C(=O)N[C@H](C(=O)Nc1cc([C@@H](COC)N2CC(F)(F)CNC2=O)ccn1)c1ccccc1
InChIInChI=1S/C25H27F2N7O5/c1-3-17-21(33-39-32-17)23(36)31-20(15-7-5-4-6-8-15)22(35)30-19-11-16(9-10-28-19)18(12-38-2)34-14-25(26,27)13-29-24(34)37/h4-11,18,20H,3,12-14H2,1-2H3,(H,29,37)(H,31,36)(H,28,30,35)/t18-,20+/m1/s1
InChIKeyOESINRDTZWQATI-QUCCMNQESA-N
XLogP2.48
TPSA151.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.53
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 178028323
N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(4-fluoro-3-methylphenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 178028356
N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 178028510
N-[(1S)-1-(4-chloro-3-methylphenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide
CID 178028431
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 171790788
(2E)-3-cyclopropyl-N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3,5-dimethylphenyl)-2-oxoethyl]-2-hydroxyimino-3-iminopropanamide
CID 178028373
2-aminoacetaldehyde;benzene;5,5-difluoro-1-[2-methoxy-1-[2-(methylamino)-4-pyridinyl]ethyl]-1,3-diazinan-2-one
CID 178028314
1-chloro-2-methylbenzene;5,5-difluoro-1-[2-methoxy-1-[2-(methylamino)-4-pyridinyl]ethyl]-1,3-diazinan-2-one;4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide
CID 178028460
1-chloro-2-fluorobenzene;5,5-difluoro-1-[2-methoxy-1-[2-(methylamino)-4-pyridinyl]ethyl]-1,3-diazinan-2-one;N-(2-oxoethyl)benzamide
CID 178028284
2-ethyl-N-[(1S)-1-(3-fluorophenyl)-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide
CID 178028554
N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 168729892
4-cyclopropyl-N-[(1R,2R)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-2-[1-(trifluoromethyl)cyclopropyl]oxypropyl]-1,2,5-oxadiazole-3-carboxamide
CID 168729847

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide (CID 178028328) is N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide is CCc1nonc1C(=O)N[C@H](C(=O)Nc1cc([C@@H](COC)N2CC(F)(F)CNC2=O)ccn1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is OESINRDTZWQATI-QUCCMNQESA-N. The full InChI is InChI=1S/C25H27F2N7O5/c1-3-17-21(33-39-32-17)23(36)31-20(15-7-5-4-6-8-15)22(35)30-19-11-16(9-10-28-19)18(12-38-2)34-14-25(26,27)13-29-24(34)37/h4-11,18,20H,3,12-14H2,1-2H3,(H,29,37)(H,31,36)(H,28,30,35)/t18-,20+/m1/s1.
What are the key properties of N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 543.53 g/mol, XLogP of 2.48, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 178028328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).