N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide

C25H23Cl2F3N4O4 — CID 11398971

IUPACN-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)no1
InChIInChI=1S/C25H23Cl2F3N4O4/c1-3-15-9-19(34-38-15)23(35)33-25(4-5-25)24(36)32-12(2)21-18(28)6-13(10-31-21)16-7-14(26)8-17(27)22(16)37-11-20(29)30/h6-10,12,20H,3-5,11H2,1-2H3,(H,32,36)(H,33,35)/t12-/m1/s1
InChIKeyQCVMEUNDJJAUPI-GFCCVEGCSA-N
MW571.38 g/mol
LogP5.53
Rot. Bonds10

About N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide

N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 11398971) has the molecular formula C25H23Cl2F3N4O4 and a molecular weight of 571.38 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide
PubChem CID11398971
Molecular FormulaC25H23Cl2F3N4O4
Molecular Weight571.38 g/mol
Exact Mass570.10
IUPAC NameN-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)no1
InChIInChI=1S/C25H23Cl2F3N4O4/c1-3-15-9-19(34-38-15)23(35)33-25(4-5-25)24(36)32-12(2)21-18(28)6-13(10-31-21)16-7-14(26)8-17(27)22(16)37-11-20(29)30/h6-10,12,20H,3-5,11H2,1-2H3,(H,32,36)(H,33,35)/t12-/m1/s1
InChIKeyQCVMEUNDJJAUPI-GFCCVEGCSA-N
XLogP5.53
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.38
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide (CID 11398971) is N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)CC2)no1.
What is the InChIKey of N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is QCVMEUNDJJAUPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C25H23Cl2F3N4O4/c1-3-15-9-19(34-38-15)23(35)33-25(4-5-25)24(36)32-12(2)21-18(28)6-13(10-31-21)16-7-14(26)8-17(27)22(16)37-11-20(29)30/h6-10,12,20H,3-5,11H2,1-2H3,(H,32,36)(H,33,35)/t12-/m1/s1.
What are the key properties of N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide?
N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 571.38 g/mol, XLogP of 5.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11398971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).