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

C14H11N3O3 — CID 2990137

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1ccco1
InChIInChI=1S/C14H11N3O3/c18-14(11-7-4-8-19-11)15-9-12-16-13(17-20-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18)
InChIKeyIUYOHRXVRLNQLZ-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.26
Rot. Bonds4

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

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (PubChem CID 2990137) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
PubChem CID2990137
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1ccco1
InChIInChI=1S/C14H11N3O3/c18-14(11-7-4-8-19-11)15-9-12-16-13(17-20-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18)
InChIKeyIUYOHRXVRLNQLZ-UHFFFAOYSA-N
XLogP2.26
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44374162
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CID 44374397
CID 44374397
CID 44520932
CID 44520932
CID 44520933
CID 44520933
CID 828537
CID 828537
CID 1251838
CID 1251838
CID 2990373
CID 2990373
CID 6458057
CID 6458057
CID 6458740
CID 6458740

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (CID 2990137) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide is O=C(NCc1nc(-c2ccccc2)no1)c1ccco1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The InChIKey is IUYOHRXVRLNQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(11-7-4-8-19-11)15-9-12-16-13(17-20-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18).
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 2990137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).