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(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C26H28F3N5O4 — CID 162764821

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2c[nH]c(=O)o2)nc(N2CCOCC2)c1
InChIInChI=1S/C26H28F3N5O4/c1-16-2-3-19(31-24(35)34-5-4-17(15-34)13-26(27,28)29)12-20(16)18-10-21(22-14-30-25(36)38-22)32-23(11-18)33-6-8-37-9-7-33/h2-3,10-12,14,17H,4-9,13,15H2,1H3,(H,30,36)(H,31,35)/t17-/m0/s1
InChIKeyLHGRQHRRZHTISU-KRWDZBQOSA-N
MW531.54 g/mol
LogP4.65
Rot. Bonds5

About (3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 162764821) has the molecular formula C26H28F3N5O4 and a molecular weight of 531.54 g/mol. Its IUPAC name is (3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID162764821
Molecular FormulaC26H28F3N5O4
Molecular Weight531.54 g/mol
Exact Mass531.21
IUPAC Name(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2c[nH]c(=O)o2)nc(N2CCOCC2)c1
InChIInChI=1S/C26H28F3N5O4/c1-16-2-3-19(31-24(35)34-5-4-17(15-34)13-26(27,28)29)12-20(16)18-10-21(22-14-30-25(36)38-22)32-23(11-18)33-6-8-37-9-7-33/h2-3,10-12,14,17H,4-9,13,15H2,1H3,(H,30,36)(H,31,35)/t17-/m0/s1
InChIKeyLHGRQHRRZHTISU-KRWDZBQOSA-N
XLogP4.65
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 162764821) is (3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2c[nH]c(=O)o2)nc(N2CCOCC2)c1.
What is the InChIKey of (3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is LHGRQHRRZHTISU-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H28F3N5O4/c1-16-2-3-19(31-24(35)34-5-4-17(15-34)13-26(27,28)29)12-20(16)18-10-21(22-14-30-25(36)38-22)32-23(11-18)33-6-8-37-9-7-33/h2-3,10-12,14,17H,4-9,13,15H2,1H3,(H,30,36)(H,31,35)/t17-/m0/s1.
What are the key properties of (3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 531.54 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 162764821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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