N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

C21H23ClN4O3 — CID 78836494

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2C)no1
InChIInChI=1S/C21H23ClN4O3/c1-13-10-17(15(3)26(13)20-11-14(2)29-24-20)21(27)23-18-12-16(22)4-5-19(18)25-6-8-28-9-7-25/h4-5,10-12H,6-9H2,1-3H3,(H,23,27)
InChIKeyFJRNCHLCYXZXDI-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.13
Rot. Bonds4

About N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (PubChem CID 78836494) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
PubChem CID78836494
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2C)no1
InChIInChI=1S/C21H23ClN4O3/c1-13-10-17(15(3)26(13)20-11-14(2)29-24-20)21(27)23-18-12-16(22)4-5-19(18)25-6-8-28-9-7-25/h4-5,10-12H,6-9H2,1-3H3,(H,23,27)
InChIKeyFJRNCHLCYXZXDI-UHFFFAOYSA-N
XLogP4.13
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
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CID 4020087
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 112768774
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3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
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N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 16561882
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 30847412
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide
CID 86822218
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (CID 78836494) is N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is Cc1cc(-n2c(C)cc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2C)no1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The InChIKey is FJRNCHLCYXZXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-13-10-17(15(3)26(13)20-11-14(2)29-24-20)21(27)23-18-12-16(22)4-5-19(18)25-6-8-28-9-7-25/h4-5,10-12H,6-9H2,1-3H3,(H,23,27).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78836494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).