(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

C15H15N5O2 — CID 94814887

IUPAC(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCc1ccco1)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C15H15N5O2/c21-15(16-10-13-7-4-8-22-13)14(20-11-17-18-19-20)9-12-5-2-1-3-6-12/h1-8,11,14H,9-10H2,(H,16,21)/t14-/m0/s1
InChIKeyQJPBRYQVSVMXQN-AWEZNQCLSA-N
MW297.32 g/mol
LogP1.37
Rot. Bonds6

About (2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 94814887) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID94814887
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCc1ccco1)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C15H15N5O2/c21-15(16-10-13-7-4-8-22-13)14(20-11-17-18-19-20)9-12-5-2-1-3-6-12/h1-8,11,14H,9-10H2,(H,16,21)/t14-/m0/s1
InChIKeyQJPBRYQVSVMXQN-AWEZNQCLSA-N
XLogP1.37
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814888
(2R)-3-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(tetrazol-1-yl)propanamide
CID 126439848
3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide
CID 46447445
(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33264815
(2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide
CID 124735606
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51054807
3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 91791500
N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947979
(2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 91640900
(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 124860255
3-phenyl-N-pyridin-3-yl-2-(tetrazol-1-yl)propanamide
CID 47016922

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 94814887) is (2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is O=C(NCc1ccco1)[C@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is QJPBRYQVSVMXQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-15(16-10-13-7-4-8-22-13)14(20-11-17-18-19-20)9-12-5-2-1-3-6-12/h1-8,11,14H,9-10H2,(H,16,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 297.32 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 94814887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).