(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide

C16H15N5O2 — CID 7705759

IUPAC(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N5O2/c1-12(16(22)18-13-6-3-2-4-7-13)23-15-9-5-8-14(10-15)21-11-17-19-20-21/h2-12H,1H3,(H,18,22)/t12-/m0/s1
InChIKeyXCPGSAFSWSDOEE-LBPRGKRZSA-N
MW309.33 g/mol
LogP2.07
Rot. Bonds5

About (2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide

(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide (PubChem CID 7705759) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
PubChem CID7705759
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N5O2/c1-12(16(22)18-13-6-3-2-4-7-13)23-15-9-5-8-14(10-15)21-11-17-19-20-21/h2-12H,1H3,(H,18,22)/t12-/m0/s1
InChIKeyXCPGSAFSWSDOEE-LBPRGKRZSA-N
XLogP2.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 91204947
(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705781
(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705700
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 25469917
(1-anilino-1-oxopropan-2-yl) 3-(tetrazol-1-yl)benzoate
CID 18081042
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 20894851
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705756

Frequently Asked Questions

What is the IUPAC name of (2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The IUPAC name of (2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide (CID 7705759) is (2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide is C[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The InChIKey is XCPGSAFSWSDOEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-12(16(22)18-13-6-3-2-4-7-13)23-15-9-5-8-14(10-15)21-11-17-19-20-21/h2-12H,1H3,(H,18,22)/t12-/m0/s1.
What are the key properties of (2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide has a molecular weight of 309.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 7705759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).