5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

C18H20F3N5O2 — CID 91817801

IUPAC5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N5O2/c1-10-22-15(18(19,20)21)9-16(23-10)26-6-4-12(5-7-26)24-17(27)13-8-14(28-25-13)11-2-3-11/h8-9,11-12H,2-7H2,1H3,(H,24,27)
InChIKeyMQWAQEUKBRVLDP-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.07
Rot. Bonds4

About 5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 91817801) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID91817801
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N5O2/c1-10-22-15(18(19,20)21)9-16(23-10)26-6-4-12(5-7-26)24-17(27)13-8-14(28-25-13)11-2-3-11/h8-9,11-12H,2-7H2,1H3,(H,24,27)
InChIKeyMQWAQEUKBRVLDP-UHFFFAOYSA-N
XLogP3.07
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 91817801) is 5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is Cc1nc(N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is MQWAQEUKBRVLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-10-22-15(18(19,20)21)9-16(23-10)26-6-4-12(5-7-26)24-17(27)13-8-14(28-25-13)11-2-3-11/h8-9,11-12H,2-7H2,1H3,(H,24,27).
What are the key properties of 5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91817801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).