N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide

C30H39FN6O4 — CID 155179524

IUPACN-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide
SMILESCC1CC(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)C2NCC(c3ccccc3F)N2)NO1
InChIInChI=1S/C30H39FN6O4/c1-18-15-24(36-41-18)30(40)35-23(16-27(38)37-14-8-13-26(37)20-9-4-3-5-10-20)29(39)33-19(2)28-32-17-25(34-28)21-11-6-7-12-22(21)31/h3-7,9-12,18-19,23-26,28,32,34,36H,8,13-17H2,1-2H3,(H,33,39)(H,35,40)/t18?,19-,23-,24?,25?,26+,28?/m0/s1
InChIKeyDHPOZMMKJFGDRJ-QJTINKPMSA-N
MW566.68 g/mol
LogP1.81
Rot. Bonds9

About N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide

N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide (PubChem CID 155179524) has the molecular formula C30H39FN6O4 and a molecular weight of 566.68 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide
PubChem CID155179524
Molecular FormulaC30H39FN6O4
Molecular Weight566.68 g/mol
Exact Mass566.30
IUPAC NameN-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide
SMILESCC1CC(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)C2NCC(c3ccccc3F)N2)NO1
InChIInChI=1S/C30H39FN6O4/c1-18-15-24(36-41-18)30(40)35-23(16-27(38)37-14-8-13-26(37)20-9-4-3-5-10-20)29(39)33-19(2)28-32-17-25(34-28)21-11-6-7-12-22(21)31/h3-7,9-12,18-19,23-26,28,32,34,36H,8,13-17H2,1-2H3,(H,33,39)(H,35,40)/t18?,19-,23-,24?,25?,26+,28?/m0/s1
InChIKeyDHPOZMMKJFGDRJ-QJTINKPMSA-N
XLogP1.81
TPSA123.83 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.68
LogP ≤ 51.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide (CID 155179524) is N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide is CC1CC(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)C2NCC(c3ccccc3F)N2)NO1.
What is the InChIKey of N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide?
The InChIKey is DHPOZMMKJFGDRJ-QJTINKPMSA-N. The full InChI is InChI=1S/C30H39FN6O4/c1-18-15-24(36-41-18)30(40)35-23(16-27(38)37-14-8-13-26(37)20-9-4-3-5-10-20)29(39)33-19(2)28-32-17-25(34-28)21-11-6-7-12-22(21)31/h3-7,9-12,18-19,23-26,28,32,34,36H,8,13-17H2,1-2H3,(H,33,39)(H,35,40)/t18?,19-,23-,24?,25?,26+,28?/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide?
N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide has a molecular weight of 566.68 g/mol, XLogP of 1.81, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S)-1-[4-(2-fluorophenyl)imidazolidin-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide is sourced from PubChem (CID 155179524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).