5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide

C24H23F3N4O4 — CID 168899532

IUPAC5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(NC(=O)c3cc(N4CCOCC4)cc(C(F)(F)F)c3)ccc2C)no1
InChIInChI=1S/C24H23F3N4O4/c1-14-3-4-18(13-20(14)29-23(33)21-9-15(2)35-30-21)28-22(32)16-10-17(24(25,26)27)12-19(11-16)31-5-7-34-8-6-31/h3-4,9-13H,5-8H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyBLPBRLJSPDUXCQ-UHFFFAOYSA-N
MW488.47 g/mol
LogP4.65
Rot. Bonds5

About 5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 168899532) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID168899532
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC Name5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(NC(=O)c3cc(N4CCOCC4)cc(C(F)(F)F)c3)ccc2C)no1
InChIInChI=1S/C24H23F3N4O4/c1-14-3-4-18(13-20(14)29-23(33)21-9-15(2)35-30-21)28-22(32)16-10-17(24(25,26)27)12-19(11-16)31-5-7-34-8-6-31/h3-4,9-13H,5-8H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyBLPBRLJSPDUXCQ-UHFFFAOYSA-N
XLogP4.65
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide (CID 168899532) is 5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(N4CCOCC4)cc(C(F)(F)F)c3)ccc2C)no1.
What is the InChIKey of 5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BLPBRLJSPDUXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-14-3-4-18(13-20(14)29-23(33)21-9-15(2)35-30-21)28-22(32)16-10-17(24(25,26)27)12-19(11-16)31-5-7-34-8-6-31/h3-4,9-13H,5-8H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-5-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 168899532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).