4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide

C26H26N4O4 — CID 55475575

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)ccc1OCc1c(C)noc1C
InChIInChI=1S/C26H26N4O4/c1-16-21(17(2)34-29-16)15-33-23-13-12-18(14-24(23)32-3)26(31)27-25-20-10-7-11-22(20)28-30(25)19-8-5-4-6-9-19/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3,(H,27,31)
InChIKeyMIQRPPZKKYYFNA-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.81
Rot. Bonds7

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide (PubChem CID 55475575) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
PubChem CID55475575
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)ccc1OCc1c(C)noc1C
InChIInChI=1S/C26H26N4O4/c1-16-21(17(2)34-29-16)15-33-23-13-12-18(14-24(23)32-3)26(31)27-25-20-10-7-11-22(20)28-30(25)19-8-5-4-6-9-19/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3,(H,27,31)
InChIKeyMIQRPPZKKYYFNA-UHFFFAOYSA-N
XLogP4.81
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-4,5-dimethoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007405
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-fluorophenyl)-3-methoxybenzamide
CID 26086460
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide
CID 25333549
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46433797
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55986766
3,4-difluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 43036733
3,4-dihydro-1H-isoquinolin-2-yl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanone
CID 27659563
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31153670
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 46555174
N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26532706
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871721

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide (CID 55475575) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide is COc1cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
The InChIKey is MIQRPPZKKYYFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-16-21(17(2)34-29-16)15-33-23-13-12-18(14-24(23)32-3)26(31)27-25-20-10-7-11-22(20)28-30(25)19-8-5-4-6-9-19/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3,(H,27,31).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide has a molecular weight of 458.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide is sourced from PubChem (CID 55475575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).