N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C26H29N3O6 — CID 55639740

IUPACN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCOc1cc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C26H29N3O6/c1-16-21(17(2)35-28-16)15-34-19-9-7-8-18(12-19)25(30)27-22-14-24(33-4)23(32-3)13-20(22)26(31)29-10-5-6-11-29/h7-9,12-14H,5-6,10-11,15H2,1-4H3,(H,27,30)
InChIKeyMXYCRFPBCZYXAC-UHFFFAOYSA-N
MW479.53 g/mol
LogP4.38
Rot. Bonds8

About N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 55639740) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID55639740
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC NameN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCOc1cc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C26H29N3O6/c1-16-21(17(2)35-28-16)15-34-19-9-7-8-18(12-19)25(30)27-22-14-24(33-4)23(32-3)13-20(22)26(31)29-10-5-6-11-29/h7-9,12-14H,5-6,10-11,15H2,1-4H3,(H,27,30)
InChIKeyMXYCRFPBCZYXAC-UHFFFAOYSA-N
XLogP4.38
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275053
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29332836
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 51208668
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methoxymethyl)phenyl]benzamide
CID 55714868
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 7964223
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 46417031
N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9146267
N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29216339
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 43060273
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46523131

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 55639740) is N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is COc1cc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C(=O)N2CCCC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is MXYCRFPBCZYXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-16-21(17(2)35-28-16)15-34-19-9-7-8-18(12-19)25(30)27-22-14-24(33-4)23(32-3)13-20(22)26(31)29-10-5-6-11-29/h7-9,12-14H,5-6,10-11,15H2,1-4H3,(H,27,30).
What are the key properties of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 479.53 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 55639740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).