2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide

C21H23N3O3 — CID 108792078

IUPAC2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cc2onc(CC(=O)Nc3ccccc3N3CCOCC3)c2cc1C
InChIInChI=1S/C21H23N3O3/c1-14-11-16-18(23-27-20(16)12-15(14)2)13-21(25)22-17-5-3-4-6-19(17)24-7-9-26-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25)
InChIKeyHGOBXNJQSRILNL-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.46
Rot. Bonds4

About 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 108792078) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID108792078
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cc2onc(CC(=O)Nc3ccccc3N3CCOCC3)c2cc1C
InChIInChI=1S/C21H23N3O3/c1-14-11-16-18(23-27-20(16)12-15(14)2)13-21(25)22-17-5-3-4-6-19(17)24-7-9-26-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25)
InChIKeyHGOBXNJQSRILNL-UHFFFAOYSA-N
XLogP3.46
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108956543
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 108803210
3-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 108804310
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 110425208
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 55343273
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 108792020
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide (CID 108792078) is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide is Cc1cc2onc(CC(=O)Nc3ccccc3N3CCOCC3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is HGOBXNJQSRILNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-11-16-18(23-27-20(16)12-15(14)2)13-21(25)22-17-5-3-4-6-19(17)24-7-9-26-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25).
What are the key properties of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide?
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 108792078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).