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

C24H23F3N4O4 — CID 122189919

IUPAC5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C24H23F3N4O4/c1-14-3-5-17(12-20(14)30-23(33)18-13-28-35-15(18)2)29-22(32)16-4-6-21(19(11-16)24(25,26)27)31-7-9-34-10-8-31/h3-6,11-13H,7-10H2,1-2H3,(H,29,32)(H,30,33)
InChIKeySMSVOIAJCRZTBX-UHFFFAOYSA-N
MW488.47 g/mol
LogP4.65
Rot. Bonds5

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

5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 122189919) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID122189919
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC Name5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C24H23F3N4O4/c1-14-3-5-17(12-20(14)30-23(33)18-13-28-35-15(18)2)29-22(32)16-4-6-21(19(11-16)24(25,26)27)31-7-9-34-10-8-31/h3-6,11-13H,7-10H2,1-2H3,(H,29,32)(H,30,33)
InChIKeySMSVOIAJCRZTBX-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-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide (CID 122189919) is 5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C.
What is the InChIKey of 5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is SMSVOIAJCRZTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-14-3-5-17(12-20(14)30-23(33)18-13-28-35-15(18)2)29-22(32)16-4-6-21(19(11-16)24(25,26)27)31-7-9-34-10-8-31/h3-6,11-13H,7-10H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-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-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).