N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide

C17H16BrN3O3 — CID 98234869

IUPACN-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C17H16BrN3O3/c1-10(2)14(19-16(22)13-4-3-9-23-13)17-20-15(21-24-17)11-5-7-12(18)8-6-11/h3-10,14H,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyFJZKPTZYSOOFTQ-CQSZACIVSA-N
MW390.24 g/mol
LogP4.22
Rot. Bonds5

About N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide

N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide (PubChem CID 98234869) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
PubChem CID98234869
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C17H16BrN3O3/c1-10(2)14(19-16(22)13-4-3-9-23-13)17-20-15(21-24-17)11-5-7-12(18)8-6-11/h3-10,14H,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyFJZKPTZYSOOFTQ-CQSZACIVSA-N
XLogP4.22
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide (CID 98234869) is N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide is CC(C)[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide?
The InChIKey is FJZKPTZYSOOFTQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-10(2)14(19-16(22)13-4-3-9-23-13)17-20-15(21-24-17)11-5-7-12(18)8-6-11/h3-10,14H,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide?
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide has a molecular weight of 390.24 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide is sourced from PubChem (CID 98234869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).