2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C21H20F3N3O3 — CID 108803210

IUPAC2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2onc(CC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2c1
InChIInChI=1S/C21H20F3N3O3/c1-13-2-5-19-15(10-13)16(26-30-19)12-20(28)25-17-11-14(21(22,23)24)3-4-18(17)27-6-8-29-9-7-27/h2-5,10-11H,6-9,12H2,1H3,(H,25,28)
InChIKeyCRDYNTCMFQQQSU-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.17
Rot. Bonds4

About 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 108803210) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID108803210
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2onc(CC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2c1
InChIInChI=1S/C21H20F3N3O3/c1-13-2-5-19-15(10-13)16(26-30-19)12-20(28)25-17-11-14(21(22,23)24)3-4-18(17)27-6-8-29-9-7-27/h2-5,10-11H,6-9,12H2,1H3,(H,25,28)
InChIKeyCRDYNTCMFQQQSU-UHFFFAOYSA-N
XLogP4.17
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-5-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 27667879
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 108792078
N-(2,5-dimethylphenyl)-2-[methyl-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]amino]acetamide
CID 4818630
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7892006
N-(3-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 24687588
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117721
3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1009399
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16518761
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 134065412

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 108803210) is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is Cc1ccc2onc(CC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2c1.
What is the InChIKey of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CRDYNTCMFQQQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-13-2-5-19-15(10-13)16(26-30-19)12-20(28)25-17-11-14(21(22,23)24)3-4-18(17)27-6-8-29-9-7-27/h2-5,10-11H,6-9,12H2,1H3,(H,25,28).
What are the key properties of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 419.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 108803210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).