N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide

C22H27FN2O4 — CID 162877392

IUPACN-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1OC(Cc2cc(-c3ccc(F)cc3)on2)CCC1O)C1CCCC1
InChIInChI=1S/C22H27FN2O4/c23-16-7-5-14(6-8-16)20-12-17(25-29-20)11-18-9-10-19(26)21(28-18)13-24-22(27)15-3-1-2-4-15/h5-8,12,15,18-19,21,26H,1-4,9-11,13H2,(H,24,27)
InChIKeyCCLZDLMNOUIKPY-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.24
Rot. Bonds6

About N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide

N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 162877392) has the molecular formula C22H27FN2O4 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID162877392
Molecular FormulaC22H27FN2O4
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC NameN-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1OC(Cc2cc(-c3ccc(F)cc3)on2)CCC1O)C1CCCC1
InChIInChI=1S/C22H27FN2O4/c23-16-7-5-14(6-8-16)20-12-17(25-29-20)11-18-9-10-19(26)21(28-18)13-24-22(27)15-3-1-2-4-15/h5-8,12,15,18-19,21,26H,1-4,9-11,13H2,(H,24,27)
InChIKeyCCLZDLMNOUIKPY-UHFFFAOYSA-N
XLogP3.24
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide (CID 162877392) is N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide is O=C(NCC1OC(Cc2cc(-c3ccc(F)cc3)on2)CCC1O)C1CCCC1.
What is the InChIKey of N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is CCLZDLMNOUIKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4/c23-16-7-5-14(6-8-16)20-12-17(25-29-20)11-18-9-10-19(26)21(28-18)13-24-22(27)15-3-1-2-4-15/h5-8,12,15,18-19,21,26H,1-4,9-11,13H2,(H,24,27).
What are the key properties of N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide?
N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 402.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 162877392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).