N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide

C17H18N4O3 — CID 93140344

IUPACN-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(N(C)C)cc2)no1
InChIInChI=1S/C17H18N4O3/c1-11(18-16(22)14-5-4-10-23-14)17-19-15(20-24-17)12-6-8-13(9-7-12)21(2)3/h4-11H,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyMTHQATCXUOKZTC-NSHDSACASA-N
MW326.36 g/mol
LogP2.89
Rot. Bonds5

About N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide

N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 93140344) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
PubChem CID93140344
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(N(C)C)cc2)no1
InChIInChI=1S/C17H18N4O3/c1-11(18-16(22)14-5-4-10-23-14)17-19-15(20-24-17)12-6-8-13(9-7-12)21(2)3/h4-11H,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyMTHQATCXUOKZTC-NSHDSACASA-N
XLogP2.89
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6459013
N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 92723590
N-[1-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 53112536
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 98234869
N-[1-[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 46380476
N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 92723591
N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 95083510
N-[1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 71921726
N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 95102314
3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 96565129
N-[(1R)-1-[3-(1-ethyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 95067710
N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide
CID 91635492

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (CID 93140344) is N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(N(C)C)cc2)no1.
What is the InChIKey of N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The InChIKey is MTHQATCXUOKZTC-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11(18-16(22)14-5-4-10-23-14)17-19-15(20-24-17)12-6-8-13(9-7-12)21(2)3/h4-11H,1-3H3,(H,18,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 93140344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).