(1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate

C16H15N5O4 — CID 24530129

IUPAC(1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)OCc1nnnn1-c1ccccc1
InChIInChI=1S/C16H15N5O4/c1-11(17-15(22)13-8-5-9-24-13)16(23)25-10-14-18-19-20-21(14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,22)/t11-/m0/s1
InChIKeyBCKJIFJZTXFJTM-NSHDSACASA-N
MW341.33 g/mol
LogP1.12
Rot. Bonds6

About (1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate

(1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate (PubChem CID 24530129) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is (1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name(1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate
PubChem CID24530129
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC Name(1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)OCc1nnnn1-c1ccccc1
InChIInChI=1S/C16H15N5O4/c1-11(17-15(22)13-8-5-9-24-13)16(23)25-10-14-18-19-20-21(14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,22)/t11-/m0/s1
InChIKeyBCKJIFJZTXFJTM-NSHDSACASA-N
XLogP1.12
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 32739273
(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 51900243
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
CID 42936087
[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 2427745
undec-10-enyl 2-(furan-2-carbonylamino)propanoate
CID 6423003
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2459579
(1-phenyltetrazol-5-yl)methyl 3-(4-fluorophenyl)butanoate
CID 60541543
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 51485714
[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 167980898
N'-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 8658930
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448

Frequently Asked Questions

What is the IUPAC name of (1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of (1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate (CID 24530129) is (1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for (1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for (1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate is C[C@H](NC(=O)c1ccco1)C(=O)OCc1nnnn1-c1ccccc1.
What is the InChIKey of (1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is BCKJIFJZTXFJTM-NSHDSACASA-N. The full InChI is InChI=1S/C16H15N5O4/c1-11(17-15(22)13-8-5-9-24-13)16(23)25-10-14-18-19-20-21(14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,22)/t11-/m0/s1.
What are the key properties of (1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate?
(1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 341.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 24530129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).