N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide

C24H24ClFN4O2 — CID 44528365

IUPACN-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3ccc(F)cc3Cl)C2)no1
InChIInChI=1S/C24H24ClFN4O2/c1-15-10-22(28-32-15)24(31)27-19-4-5-23-16(11-19)6-9-30(23)20-7-8-29(14-20)13-17-2-3-18(26)12-21(17)25/h2-5,10-12,20H,6-9,13-14H2,1H3,(H,27,31)
InChIKeyDMGPOSNKCIDPJT-UHFFFAOYSA-N
MW454.93 g/mol
LogP4.66
Rot. Bonds5

About N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 44528365) has the molecular formula C24H24ClFN4O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID44528365
Molecular FormulaC24H24ClFN4O2
Molecular Weight454.93 g/mol
Exact Mass454.16
IUPAC NameN-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3ccc(F)cc3Cl)C2)no1
InChIInChI=1S/C24H24ClFN4O2/c1-15-10-22(28-32-15)24(31)27-19-4-5-23-16(11-19)6-9-30(23)20-7-8-29(14-20)13-17-2-3-18(26)12-21(17)25/h2-5,10-12,20H,6-9,13-14H2,1H3,(H,27,31)
InChIKeyDMGPOSNKCIDPJT-UHFFFAOYSA-N
XLogP4.66
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 44528365) is N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3ccc(F)cc3Cl)C2)no1.
What is the InChIKey of N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is DMGPOSNKCIDPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O2/c1-15-10-22(28-32-15)24(31)27-19-4-5-23-16(11-19)6-9-30(23)20-7-8-29(14-20)13-17-2-3-18(26)12-21(17)25/h2-5,10-12,20H,6-9,13-14H2,1H3,(H,27,31).
What are the key properties of N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 454.93 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44528365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).