N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide

C17H20FN3O3 — CID 91626387

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c(C)o1
InChIInChI=1S/C17H20FN3O3/c1-10-7-15(11(2)23-10)16(22)21-13-3-5-14(6-4-13)24-17-19-8-12(18)9-20-17/h7-9,13-14H,3-6H2,1-2H3,(H,21,22)
InChIKeyWJMIBKVARIYZHN-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.95
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 91626387) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID91626387
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c(C)o1
InChIInChI=1S/C17H20FN3O3/c1-10-7-15(11(2)23-10)16(22)21-13-3-5-14(6-4-13)24-17-19-8-12(18)9-20-17/h7-9,13-14H,3-6H2,1-2H3,(H,21,22)
InChIKeyWJMIBKVARIYZHN-UHFFFAOYSA-N
XLogP2.95
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 887215
2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide
CID 46230579
2-[4-(2,5-Dimethyl-3-furoyl)-1-piperazinyl]pyrimidine
CID 1246046
N-(3-Fluorophenyl)-4-[1-(furan-3-carbonyl)piperidin-3-YL]pyrimidin-2-amine
CID 53140064
[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 53573264
2,5-dimethyl-N-((1r,4r)-4-(pyridin-2-yloxy)cyclohexyl)furan-3-carboxamide
CID 91625968
N-[(1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl]furan-3-carboxamide
CID 91626289
2,5-dimethyl-N-(2-(4-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethyl)furan-3-carboxamide
CID 91629266
[(5aR,9aS)-4-pyrimidin-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 97378059
N-[4-(Hydroxymethyl)-1-(pyrimidin-2-YL)pyrrolidin-3-YL]-2,5-dimethylfuran-3-carboxamide
CID 110202471
[9-(5-Fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone
CID 118744695
2,5-dimethyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]furan-3-carboxamide
CID 45165848

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide (CID 91626387) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c(C)o1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is WJMIBKVARIYZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-10-7-15(11(2)23-10)16(22)21-13-3-5-14(6-4-13)24-17-19-8-12(18)9-20-17/h7-9,13-14H,3-6H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 91626387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).