4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide

C16H17N5O3 — CID 4723420

IUPAC4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C16H17N5O3/c17-15-14(20-24-21-15)16(22)19-9-8-18-10-12-6-7-13(23-12)11-4-2-1-3-5-11/h1-7,18H,8-10H2,(H2,17,21)(H,19,22)
InChIKeyVQFJCOYQTCEGMM-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.43
Rot. Bonds7

About 4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 4723420) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID4723420
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C16H17N5O3/c17-15-14(20-24-21-15)16(22)19-9-8-18-10-12-6-7-13(23-12)11-4-2-1-3-5-11/h1-7,18H,8-10H2,(H2,17,21)(H,19,22)
InChIKeyVQFJCOYQTCEGMM-UHFFFAOYSA-N
XLogP1.43
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 4723420) is 4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCNCc1ccc(-c2ccccc2)o1.
What is the InChIKey of 4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is VQFJCOYQTCEGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c17-15-14(20-24-21-15)16(22)19-9-8-18-10-12-6-7-13(23-12)11-4-2-1-3-5-11/h1-7,18H,8-10H2,(H2,17,21)(H,19,22).
What are the key properties of 4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(5-phenylfuran-2-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 4723420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).