5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide

C18H15FN4O3 — CID 119068358

IUPAC5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide
SMILESCn1c(C(=O)N(Cc2cocn2)Cc2cocn2)cc2cc(F)ccc21
InChIInChI=1S/C18H15FN4O3/c1-22-16-3-2-13(19)4-12(16)5-17(22)18(24)23(6-14-8-25-10-20-14)7-15-9-26-11-21-15/h2-5,8-11H,6-7H2,1H3
InChIKeyMZZLRKGSGXVDFN-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.14
Rot. Bonds5

About 5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide

5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide (PubChem CID 119068358) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide
PubChem CID119068358
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide
SMILESCn1c(C(=O)N(Cc2cocn2)Cc2cocn2)cc2cc(F)ccc21
InChIInChI=1S/C18H15FN4O3/c1-22-16-3-2-13(19)4-12(16)5-17(22)18(24)23(6-14-8-25-10-20-14)7-15-9-26-11-21-15/h2-5,8-11H,6-7H2,1H3
InChIKeyMZZLRKGSGXVDFN-UHFFFAOYSA-N
XLogP3.14
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide (CID 119068358) is 5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide is Cn1c(C(=O)N(Cc2cocn2)Cc2cocn2)cc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide?
The InChIKey is MZZLRKGSGXVDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-22-16-3-2-13(19)4-12(16)5-17(22)18(24)23(6-14-8-25-10-20-14)7-15-9-26-11-21-15/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide?
5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 119068358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).