4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide

C22H22FN5O2 — CID 90256766

IUPAC4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cc(C(=O)N(C)C)ccc4F)c3c2)o1
InChIInChI=1S/C22H22FN5O2/c1-12(2)25-22-27-26-20(30-22)13-6-8-19-16(9-13)17(11-24-19)15-10-14(5-7-18(15)23)21(29)28(3)4/h5-12,24H,1-4H3,(H,25,27)
InChIKeyAJLHUNVYJFZUBA-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.55
Rot. Bonds5

About 4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide

4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide (PubChem CID 90256766) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide
PubChem CID90256766
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cc(C(=O)N(C)C)ccc4F)c3c2)o1
InChIInChI=1S/C22H22FN5O2/c1-12(2)25-22-27-26-20(30-22)13-6-8-19-16(9-13)17(11-24-19)15-10-14(5-7-18(15)23)21(29)28(3)4/h5-12,24H,1-4H3,(H,25,27)
InChIKeyAJLHUNVYJFZUBA-UHFFFAOYSA-N
XLogP4.55
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide?
The IUPAC name of 4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide (CID 90256766) is 4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide is CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cc(C(=O)N(C)C)ccc4F)c3c2)o1.
What is the InChIKey of 4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide?
The InChIKey is AJLHUNVYJFZUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-12(2)25-22-27-26-20(30-22)13-6-8-19-16(9-13)17(11-24-19)15-10-14(5-7-18(15)23)21(29)28(3)4/h5-12,24H,1-4H3,(H,25,27).
What are the key properties of 4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide?
4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide has a molecular weight of 407.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethyl-3-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]benzamide is sourced from PubChem (CID 90256766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).