2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide

C22H27N3O5 — CID 86990651

IUPAC2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc(OC)c1OC
InChIInChI=1S/C22H27N3O5/c1-12-8-17(15(4)25(12)20-9-13(2)30-24-20)22(26)23-14(3)16-10-18(27-5)21(29-7)19(11-16)28-6/h8-11,14H,1-7H3,(H,23,26)
InChIKeyRWVJCRQRJYXGSM-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.91
Rot. Bonds7

About 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide (PubChem CID 86990651) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide
PubChem CID86990651
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc(OC)c1OC
InChIInChI=1S/C22H27N3O5/c1-12-8-17(15(4)25(12)20-9-13(2)30-24-20)22(26)23-14(3)16-10-18(27-5)21(29-7)19(11-16)28-6/h8-11,14H,1-7H3,(H,23,26)
InChIKeyRWVJCRQRJYXGSM-UHFFFAOYSA-N
XLogP3.91
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634896
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78838996
2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55714675
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(1-phenylbutyl)pyrrole-3-carboxamide
CID 112811994
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78842927
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30890043
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566511
prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate
CID 78832442
N-[2-(2,6-dimethylphenoxy)ethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78876067
2,5-dimethyl-N-(2-methyl-3-morpholin-4-ylpropyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 136527092
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819803
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide (CID 86990651) is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide is COc1cc(C(C)NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc(OC)c1OC.
What is the InChIKey of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide?
The InChIKey is RWVJCRQRJYXGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-12-8-17(15(4)25(12)20-9-13(2)30-24-20)22(26)23-14(3)16-10-18(27-5)21(29-7)19(11-16)28-6/h8-11,14H,1-7H3,(H,23,26).
What are the key properties of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide?
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 86990651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).