N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide

C23H28F3N3O3 — CID 170720825

IUPACN-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)Cc1oc(N2CCCC2)nc1C(=O)Nc1ccc(OC2CCCC2(F)F)c(F)c1
InChIInChI=1S/C23H28F3N3O3/c1-14(2)12-18-20(28-22(32-18)29-10-3-4-11-29)21(30)27-15-7-8-17(16(24)13-15)31-19-6-5-9-23(19,25)26/h7-8,13-14,19H,3-6,9-12H2,1-2H3,(H,27,30)
InChIKeyIANYVTPNLBHTKI-UHFFFAOYSA-N
MW451.49 g/mol
LogP5.43
Rot. Bonds7

About N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide

N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide (PubChem CID 170720825) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide
PubChem CID170720825
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC NameN-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)Cc1oc(N2CCCC2)nc1C(=O)Nc1ccc(OC2CCCC2(F)F)c(F)c1
InChIInChI=1S/C23H28F3N3O3/c1-14(2)12-18-20(28-22(32-18)29-10-3-4-11-29)21(30)27-15-7-8-17(16(24)13-15)31-19-6-5-9-23(19,25)26/h7-8,13-14,19H,3-6,9-12H2,1-2H3,(H,27,30)
InChIKeyIANYVTPNLBHTKI-UHFFFAOYSA-N
XLogP5.43
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720684
2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720630
2-(5-azaspiro[2.4]heptan-5-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720211
2-(3,3-diethylazetidin-1-yl)-N-[3,5-difluoro-4-(oxan-3-yloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 170720444
2-(3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 171579607
2-(4-cyclopropylpiperazin-1-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 170720556
2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 174163170
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822444
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689111
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720481
N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-chloro-5-fluorophenyl]-5-ethyl-2-[3-ethyl-3-(hydroxymethyl)azetidin-1-yl]-1,3-oxazole-4-carboxamide
CID 171579570
N-[4-(2-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-dimethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 171579671

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide (CID 170720825) is N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide is CC(C)Cc1oc(N2CCCC2)nc1C(=O)Nc1ccc(OC2CCCC2(F)F)c(F)c1.
What is the InChIKey of N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide?
The InChIKey is IANYVTPNLBHTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-14(2)12-18-20(28-22(32-18)29-10-3-4-11-29)21(30)27-15-7-8-17(16(24)13-15)31-19-6-5-9-23(19,25)26/h7-8,13-14,19H,3-6,9-12H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide?
N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide has a molecular weight of 451.49 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-5-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).