N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide

C19H22N4O3 — CID 120868514

IUPACN-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide
SMILESCNC(C)Cc1noc(C(Cc2ccccc2)NC(=O)c2ccco2)n1
InChIInChI=1S/C19H22N4O3/c1-13(20-2)11-17-22-19(26-23-17)15(12-14-7-4-3-5-8-14)21-18(24)16-9-6-10-25-16/h3-10,13,15,20H,11-12H2,1-2H3,(H,21,24)
InChIKeyJPZJTZWJUBWXQR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.53
Rot. Bonds8

About N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide

N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide (PubChem CID 120868514) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide
PubChem CID120868514
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide
SMILESCNC(C)Cc1noc(C(Cc2ccccc2)NC(=O)c2ccco2)n1
InChIInChI=1S/C19H22N4O3/c1-13(20-2)11-17-22-19(26-23-17)15(12-14-7-4-3-5-8-14)21-18(24)16-9-6-10-25-16/h3-10,13,15,20H,11-12H2,1-2H3,(H,21,24)
InChIKeyJPZJTZWJUBWXQR-UHFFFAOYSA-N
XLogP2.53
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120868474
4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120866059
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 120865244
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 78768077
N-[2-(4-methoxyphenyl)-1-pyridin-2-ylethyl]furan-2-carboxamide
CID 21157115
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide
CID 54318633
N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide
CID 78775920
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide (CID 120868514) is N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide is CNC(C)Cc1noc(C(Cc2ccccc2)NC(=O)c2ccco2)n1.
What is the InChIKey of N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide?
The InChIKey is JPZJTZWJUBWXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(20-2)11-17-22-19(26-23-17)15(12-14-7-4-3-5-8-14)21-18(24)16-9-6-10-25-16/h3-10,13,15,20H,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide?
N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 120868514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).