(5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

C23H23F3N4O2 — CID 56662420

IUPAC(5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)no1
InChIInChI=1S/C23H23F3N4O2/c1-15-13-20(29-32-15)22(31)30-11-8-19(9-12-30)28-21(17-3-2-10-27-14-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21,28H,8-9,11-12H2,1H3
InChIKeyCVMFJMKDKKBSEC-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.38
Rot. Bonds5

About (5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone (PubChem CID 56662420) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
PubChem CID56662420
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)no1
InChIInChI=1S/C23H23F3N4O2/c1-15-13-20(29-32-15)22(31)30-11-8-19(9-12-30)28-21(17-3-2-10-27-14-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21,28H,8-9,11-12H2,1H3
InChIKeyCVMFJMKDKKBSEC-UHFFFAOYSA-N
XLogP4.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone (CID 56662420) is (5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The InChIKey is CVMFJMKDKKBSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-15-13-20(29-32-15)22(31)30-11-8-19(9-12-30)28-21(17-3-2-10-27-14-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21,28H,8-9,11-12H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone has a molecular weight of 444.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56662420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).