N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide

C15H18FN5O2 — CID 95391515

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESCC1(C)C[C@@H](NC(=O)c2cc(F)ccc2-n2cnnn2)CCO1
InChIInChI=1S/C15H18FN5O2/c1-15(2)8-11(5-6-23-15)18-14(22)12-7-10(16)3-4-13(12)21-9-17-19-20-21/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,18,22)/t11-/m0/s1
InChIKeyZTCJAKMKJAKAHJ-NSHDSACASA-N
MW319.34 g/mol
LogP1.49
Rot. Bonds3

About N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide

N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide (PubChem CID 95391515) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide
PubChem CID95391515
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESCC1(C)C[C@@H](NC(=O)c2cc(F)ccc2-n2cnnn2)CCO1
InChIInChI=1S/C15H18FN5O2/c1-15(2)8-11(5-6-23-15)18-14(22)12-7-10(16)3-4-13(12)21-9-17-19-20-21/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,18,22)/t11-/m0/s1
InChIKeyZTCJAKMKJAKAHJ-NSHDSACASA-N
XLogP1.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide (CID 95391515) is N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide is CC1(C)C[C@@H](NC(=O)c2cc(F)ccc2-n2cnnn2)CCO1.
What is the InChIKey of N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
The InChIKey is ZTCJAKMKJAKAHJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-15(2)8-11(5-6-23-15)18-14(22)12-7-10(16)3-4-13(12)21-9-17-19-20-21/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,18,22)/t11-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide has a molecular weight of 319.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 95391515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).