(3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide

C19H17N5O2 — CID 124879707

IUPAC(3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide
SMILESO=C(C[C@@H](c1ccccc1)n1cccc1)Nc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C19H17N5O2/c25-17(20-19-21-18(22-23-19)16-9-6-12-26-16)13-15(24-10-4-5-11-24)14-7-2-1-3-8-14/h1-12,15H,13H2,(H2,20,21,22,23,25)/t15-/m0/s1
InChIKeyVOLRFRIJVXWVBG-HNNXBMFYSA-N
MW347.38 g/mol
LogP3.48
Rot. Bonds6

About (3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide

(3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide (PubChem CID 124879707) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide
PubChem CID124879707
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name(3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide
SMILESO=C(C[C@@H](c1ccccc1)n1cccc1)Nc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C19H17N5O2/c25-17(20-19-21-18(22-23-19)16-9-6-12-26-16)13-15(24-10-4-5-11-24)14-7-2-1-3-8-14/h1-12,15H,13H2,(H2,20,21,22,23,25)/t15-/m0/s1
InChIKeyVOLRFRIJVXWVBG-HNNXBMFYSA-N
XLogP3.48
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide (CID 124879707) is (3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide is O=C(C[C@@H](c1ccccc1)n1cccc1)Nc1n[nH]c(-c2ccco2)n1.
What is the InChIKey of (3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide?
The InChIKey is VOLRFRIJVXWVBG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-17(20-19-21-18(22-23-19)16-9-6-12-26-16)13-15(24-10-4-5-11-24)14-7-2-1-3-8-14/h1-12,15H,13H2,(H2,20,21,22,23,25)/t15-/m0/s1.
What are the key properties of (3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide?
(3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide has a molecular weight of 347.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 124879707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).