2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C23H27N5O3 — CID 53154189

IUPAC2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)c1-c1nc(C2CC2)no1
InChIInChI=1S/C23H27N5O3/c1-15-13-16(2)28(21(15)23-25-22(26-31-23)17-3-4-17)14-20(29)24-18-5-7-19(8-6-18)27-9-11-30-12-10-27/h5-8,13,17H,3-4,9-12,14H2,1-2H3,(H,24,29)
InChIKeyBCZUOPRGCROMMK-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.51
Rot. Bonds6

About 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 53154189) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID53154189
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)c1-c1nc(C2CC2)no1
InChIInChI=1S/C23H27N5O3/c1-15-13-16(2)28(21(15)23-25-22(26-31-23)17-3-4-17)14-20(29)24-18-5-7-19(8-6-18)27-9-11-30-12-10-27/h5-8,13,17H,3-4,9-12,14H2,1-2H3,(H,24,29)
InChIKeyBCZUOPRGCROMMK-UHFFFAOYSA-N
XLogP3.51
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53155544
2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-methylphenyl)acetamide
CID 53154165
2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 71915179
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53143817
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
N-(4-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7751943
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55481956

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 53154189) is 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)c1-c1nc(C2CC2)no1.
What is the InChIKey of 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is BCZUOPRGCROMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-13-16(2)28(21(15)23-25-22(26-31-23)17-3-4-17)14-20(29)24-18-5-7-19(8-6-18)27-9-11-30-12-10-27/h5-8,13,17H,3-4,9-12,14H2,1-2H3,(H,24,29).
What are the key properties of 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 421.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,5-dimethylpyrrol-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 53154189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).