N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C18H20F3N3O5 — CID 75367851

IUPACN-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(COc3ccc(C(F)(F)F)cn3)C[C@@H](O)[C@@H](O)C2)no1
InChIInChI=1S/C18H20F3N3O5/c1-10-4-12(24-29-10)16(27)23-8-17(5-13(25)14(26)6-17)9-28-15-3-2-11(7-22-15)18(19,20)21/h2-4,7,13-14,25-26H,5-6,8-9H2,1H3,(H,23,27)/t13-,14+,17?
InChIKeyGHADEYPUPNTZSJ-VMZNBEPHSA-N
MW415.37 g/mol
LogP1.71
Rot. Bonds6

About N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 75367851) has the molecular formula C18H20F3N3O5 and a molecular weight of 415.37 g/mol. Its IUPAC name is N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID75367851
Molecular FormulaC18H20F3N3O5
Molecular Weight415.37 g/mol
Exact Mass415.14
IUPAC NameN-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(COc3ccc(C(F)(F)F)cn3)C[C@@H](O)[C@@H](O)C2)no1
InChIInChI=1S/C18H20F3N3O5/c1-10-4-12(24-29-10)16(27)23-8-17(5-13(25)14(26)6-17)9-28-15-3-2-11(7-22-15)18(19,20)21/h2-4,7,13-14,25-26H,5-6,8-9H2,1H3,(H,23,27)/t13-,14+,17?
InChIKeyGHADEYPUPNTZSJ-VMZNBEPHSA-N
XLogP1.71
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 75367851) is N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC2(COc3ccc(C(F)(F)F)cn3)C[C@@H](O)[C@@H](O)C2)no1.
What is the InChIKey of N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GHADEYPUPNTZSJ-VMZNBEPHSA-N. The full InChI is InChI=1S/C18H20F3N3O5/c1-10-4-12(24-29-10)16(27)23-8-17(5-13(25)14(26)6-17)9-28-15-3-2-11(7-22-15)18(19,20)21/h2-4,7,13-14,25-26H,5-6,8-9H2,1H3,(H,23,27)/t13-,14+,17?.
What are the key properties of N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 415.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75367851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).