N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

C18H20F3N3O2 — CID 8009827

IUPACN-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)no1
InChIInChI=1S/C18H20F3N3O2/c1-11-9-16(24-26-11)17(25)23-15-10-12(18(19,20)21)7-8-14(15)22-13-5-3-2-4-6-13/h7-10,13,22H,2-6H2,1H3,(H,23,25)
InChIKeyVQVBSQUUUSCKOT-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.00
Rot. Bonds4

About N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 8009827) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID8009827
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)no1
InChIInChI=1S/C18H20F3N3O2/c1-11-9-16(24-26-11)17(25)23-15-10-12(18(19,20)21)7-8-14(15)22-13-5-3-2-4-6-13/h7-10,13,22H,2-6H2,1H3,(H,23,25)
InChIKeyVQVBSQUUUSCKOT-UHFFFAOYSA-N
XLogP5.00
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
CID 66479132
N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide
CID 135186383
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2538265
N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 17458180
5-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109275001
4-(cyclopentylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109204359
4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109217173
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 55159058
5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47075296
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200549
5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43972322
N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79766728

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 8009827) is N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)no1.
What is the InChIKey of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VQVBSQUUUSCKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-11-9-16(24-26-11)17(25)23-15-10-12(18(19,20)21)7-8-14(15)22-13-5-3-2-4-6-13/h7-10,13,22H,2-6H2,1H3,(H,23,25).
What are the key properties of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 8009827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).