N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide

C22H15N3O3 — CID 146493966

IUPACN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide
SMILESCC#Cc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C22H15N3O3/c1-2-7-15-8-3-4-11-18(15)20(26)23-17-10-5-9-16(14-17)21-24-25-22(28-21)19-12-6-13-27-19/h3-6,8-14H,1H3,(H,23,26)
InChIKeyJJUXMLGVGRVGCD-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.62
Rot. Bonds4

About N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide (PubChem CID 146493966) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide.

Molecular Properties

Compound NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide
PubChem CID146493966
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide
SMILESCC#Cc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C22H15N3O3/c1-2-7-15-8-3-4-11-18(15)20(26)23-17-10-5-9-16(14-17)21-24-25-22(28-21)19-12-6-13-27-19/h3-6,8-14H,1H3,(H,23,26)
InChIKeyJJUXMLGVGRVGCD-UHFFFAOYSA-N
XLogP4.62
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate
CID 146494289
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 142440079
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 142440215
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-hydroxybenzamide
CID 142440315
ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide
CID 142440037
3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide
CID 142440239
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319990
3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide
CID 135347274
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide
CID 142440309
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 146493872
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-6-methoxybenzamide
CID 142440100
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]benzamide
CID 142440284

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide?
The IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide (CID 146493966) is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide.
What is the SMILES notation for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide?
The canonical SMILES for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide is CC#Cc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1.
What is the InChIKey of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide?
The InChIKey is JJUXMLGVGRVGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c1-2-7-15-8-3-4-11-18(15)20(26)23-17-10-5-9-16(14-17)21-24-25-22(28-21)19-12-6-13-27-19/h3-6,8-14H,1H3,(H,23,26).
What are the key properties of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide?
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide has a molecular weight of 369.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-prop-1-ynylbenzamide is sourced from PubChem (CID 146493966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).