3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide

C23H23FN4O5S — CID 46841504

IUPAC3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide
SMILESCN(C)C(=O)c1cc(Oc2ccc(S(C)(=O)=O)nc2)cc(-c2ccc(C3=NC[C@H](CF)O3)[nH]2)c1
InChIInChI=1S/C23H23FN4O5S/c1-28(2)23(29)15-8-14(19-5-6-20(27-19)22-26-13-18(11-24)33-22)9-17(10-15)32-16-4-7-21(25-12-16)34(3,30)31/h4-10,12,18,27H,11,13H2,1-3H3/t18-/m0/s1
InChIKeyMTEJRXUDLZXFAP-SFHVURJKSA-N
MW486.53 g/mol
LogP3.09
Rot. Bonds7

About 3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide

3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide (PubChem CID 46841504) has the molecular formula C23H23FN4O5S and a molecular weight of 486.53 g/mol. Its IUPAC name is 3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide
PubChem CID46841504
Molecular FormulaC23H23FN4O5S
Molecular Weight486.53 g/mol
Exact Mass486.14
IUPAC Name3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide
SMILESCN(C)C(=O)c1cc(Oc2ccc(S(C)(=O)=O)nc2)cc(-c2ccc(C3=NC[C@H](CF)O3)[nH]2)c1
InChIInChI=1S/C23H23FN4O5S/c1-28(2)23(29)15-8-14(19-5-6-20(27-19)22-26-13-18(11-24)33-22)9-17(10-15)32-16-4-7-21(25-12-16)34(3,30)31/h4-10,12,18,27H,11,13H2,1-3H3/t18-/m0/s1
InChIKeyMTEJRXUDLZXFAP-SFHVURJKSA-N
XLogP3.09
TPSA113.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide?
The IUPAC name of 3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide (CID 46841504) is 3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide.
What is the SMILES notation for 3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide?
The canonical SMILES for 3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide is CN(C)C(=O)c1cc(Oc2ccc(S(C)(=O)=O)nc2)cc(-c2ccc(C3=NC[C@H](CF)O3)[nH]2)c1.
What is the InChIKey of 3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide?
The InChIKey is MTEJRXUDLZXFAP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23FN4O5S/c1-28(2)23(29)15-8-14(19-5-6-20(27-19)22-26-13-18(11-24)33-22)9-17(10-15)32-16-4-7-21(25-12-16)34(3,30)31/h4-10,12,18,27H,11,13H2,1-3H3/t18-/m0/s1.
What are the key properties of 3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide?
3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide has a molecular weight of 486.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5R)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-N,N-dimethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide is sourced from PubChem (CID 46841504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).