N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

C21H32N4O3 — CID 78871532

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)NCC(C)(C)N3CC(C)OC(C)C3)c2C)no1
InChIInChI=1S/C21H32N4O3/c1-13-8-18(17(5)25(13)19-9-14(2)28-23-19)20(26)22-12-21(6,7)24-10-15(3)27-16(4)11-24/h8-9,15-16H,10-12H2,1-7H3,(H,22,26)
InChIKeyIWTVYMPCFAQAOQ-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (PubChem CID 78871532) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
PubChem CID78871532
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)NCC(C)(C)N3CC(C)OC(C)C3)c2C)no1
InChIInChI=1S/C21H32N4O3/c1-13-8-18(17(5)25(13)19-9-14(2)28-23-19)20(26)22-12-21(6,7)24-10-15(3)27-16(4)11-24/h8-9,15-16H,10-12H2,1-7H3,(H,22,26)
InChIKeyIWTVYMPCFAQAOQ-UHFFFAOYSA-N
XLogP3.01
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (CID 78871532) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is Cc1cc(-n2c(C)cc(C(=O)NCC(C)(C)N3CC(C)OC(C)C3)c2C)no1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The InChIKey is IWTVYMPCFAQAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-13-8-18(17(5)25(13)19-9-14(2)28-23-19)20(26)22-12-21(6,7)24-10-15(3)27-16(4)11-24/h8-9,15-16H,10-12H2,1-7H3,(H,22,26).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78871532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).