N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide

C24H22F3N5O3 — CID 58269622

IUPACN-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESNC(N)=NC(=O)c1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)19-11-16(21(33)31-23(28)29)4-5-18(19)14-6-8-32(9-7-14)22(34)17-3-1-2-15(10-17)20-12-30-13-35-20/h1-5,10-14H,6-9H2,(H4,28,29,31,33)
InChIKeyXRULFOFIOBXDAX-UHFFFAOYSA-N
MW485.47 g/mol
LogP3.79
Rot. Bonds4

About N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide

N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide (PubChem CID 58269622) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
PubChem CID58269622
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC NameN-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESNC(N)=NC(=O)c1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)19-11-16(21(33)31-23(28)29)4-5-18(19)14-6-8-32(9-7-14)22(34)17-3-1-2-15(10-17)20-12-30-13-35-20/h1-5,10-14H,6-9H2,(H4,28,29,31,33)
InChIKeyXRULFOFIOBXDAX-UHFFFAOYSA-N
XLogP3.79
TPSA127.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzamide
CID 16110641
N-(diaminomethylidene)-4-[1-[4-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 58269650
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[3-(1,3-oxazol-5-yl)benzoyl]amino]methyl]benzamide
CID 68011421
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-oxazol-5-yl)benzamide
CID 25169507
1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-3-carboxamide
CID 71682206
US20250368634, Example 12
CID 176888758
1-(difluoromethyl)-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 126834251
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1,3-oxazol-5-yl)benzamide
CID 138034701
N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide
CID 164639309
(2-Fluorophenyl)-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 11485465
[3-[5-(3,4-Difluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 11485981
4-(4-Chlorophenyl)-3-(1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide
CID 19388639

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide (CID 58269622) is N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide is NC(N)=NC(=O)c1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)c(C(F)(F)F)c1.
What is the InChIKey of N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is XRULFOFIOBXDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c25-24(26,27)19-11-16(21(33)31-23(28)29)4-5-18(19)14-6-8-32(9-7-14)22(34)17-3-1-2-15(10-17)20-12-30-13-35-20/h1-5,10-14H,6-9H2,(H4,28,29,31,33).
What are the key properties of N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide?
N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 485.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58269622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).