2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide

C21H25N3O4 — CID 142501178

IUPAC2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3coc(C4CC4)n3)c(N3CCOCC3)cc2O1
InChIInChI=1S/C21H25N3O4/c1-21(2)11-14-9-15(17(10-18(14)28-21)24-5-7-26-8-6-24)22-19(25)16-12-27-20(23-16)13-3-4-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,25)
InChIKeyFTBCSKLONPBZRU-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.35
Rot. Bonds4

About 2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide

2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 142501178) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID142501178
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3coc(C4CC4)n3)c(N3CCOCC3)cc2O1
InChIInChI=1S/C21H25N3O4/c1-21(2)11-14-9-15(17(10-18(14)28-21)24-5-7-26-8-6-24)22-19(25)16-12-27-20(23-16)13-3-4-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,25)
InChIKeyFTBCSKLONPBZRU-UHFFFAOYSA-N
XLogP3.35
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide
CID 167038984
6-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284274
N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 167038773
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-[2-[2-[2-methyl-6-morpholin-4-yl-5-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3H-1-benzofuran-2-yl]ethyl]-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 142501204
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 142501256
(E)-3-amino-2-(5-cyanopyrimidin-2-yl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)prop-2-enamide
CID 129297594
6-acetyl-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129283933
6-chloro-N-[(2R)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide;6-chloro-N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]thieno[3,2-b]pyridine-3-carboxamide
CID 159285717
4-amino-5-[amino(methyl)amino]-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyridine-3-carboxamide
CID 167038748
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127907878
N-[(2R)-2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284178
N-(2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284180

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide (CID 142501178) is 2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide is CC1(C)Cc2cc(NC(=O)c3coc(C4CC4)n3)c(N3CCOCC3)cc2O1.
What is the InChIKey of 2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is FTBCSKLONPBZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-21(2)11-14-9-15(17(10-18(14)28-21)24-5-7-26-8-6-24)22-19(25)16-12-27-20(23-16)13-3-4-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,25).
What are the key properties of 2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide?
2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142501178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).