2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide

C22H13ClF3N3O2 — CID 44548376

IUPAC2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccncc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl
InChIInChI=1S/C22H13ClF3N3O2/c23-17-4-2-1-3-16(17)20(30)28-15-7-5-14(6-8-15)21-29-18(13-9-11-27-12-10-13)19(31-21)22(24,25)26/h1-12H,(H,28,30)
InChIKeyZIPBEUWIGPIPCR-UHFFFAOYSA-N
MW443.81 g/mol
LogP6.33
Rot. Bonds4

About 2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide

2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 44548376) has the molecular formula C22H13ClF3N3O2 and a molecular weight of 443.81 g/mol. Its IUPAC name is 2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID44548376
Molecular FormulaC22H13ClF3N3O2
Molecular Weight443.81 g/mol
Exact Mass443.06
IUPAC Name2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccncc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl
InChIInChI=1S/C22H13ClF3N3O2/c23-17-4-2-1-3-16(17)20(30)28-15-7-5-14(6-8-15)21-29-18(13-9-11-27-12-10-13)19(31-21)22(24,25)26/h1-12H,(H,28,30)
InChIKeyZIPBEUWIGPIPCR-UHFFFAOYSA-N
XLogP6.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.81
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-(3-pyridinyloxy)phenyl]benzamide
CID 806456
[2-(3-Chloro-benzyl)-benzooxazol-4-yl]-(2,2-difluoro-2-pyridin-2-yl-ethyl)-amine
CID 10023890
[2-(2,5-Dichloro-benzyl)-benzooxazol-4-yl]-(2,2-difluoro-2-pyridin-2-yl-ethyl)-amine
CID 10048535
2-chloro-N-(4-(4-phenyl-5-(trifluoromethyl)oxazol-2-yl)phenyl)benzamide
CID 44517800
2-chloro-N-(4-(5-methyl-4-phenyloxazol-2-yl)phenyl)benzamide
CID 44548374
2-chloro-N-(4-(2-phenyloxazol-4-yl)phenyl)benzamide
CID 44548378
2-chloro-N-(4-(5-phenyloxazol-2-yl)phenyl)benzamide
CID 44549004
N-(4-Benzooxazol-2-yl-phenyl)-nicotinamide
CID 778969
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3237192
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 3245365
2-chloro-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 50835422
N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide
CID 71712601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide (CID 44548376) is 2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nc(-c3ccncc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is ZIPBEUWIGPIPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF3N3O2/c23-17-4-2-1-3-16(17)20(30)28-15-7-5-14(6-8-15)21-29-18(13-9-11-27-12-10-13)19(31-21)22(24,25)26/h1-12H,(H,28,30).
What are the key properties of 2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 443.81 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 44548376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).