2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide

C14H16FN5O2 — CID 164630065

IUPAC2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide
SMILESCc1nnnn1-c1ccc(C(=O)N[C@H]2CCCOC2)c(F)c1
InChIInChI=1S/C14H16FN5O2/c1-9-17-18-19-20(9)11-4-5-12(13(15)7-11)14(21)16-10-3-2-6-22-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,21)/t10-/m0/s1
InChIKeyWEUJSYZHYSTWOE-JTQLQIEISA-N
MW305.31 g/mol
LogP1.02
Rot. Bonds3

About 2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide

2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide (PubChem CID 164630065) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide
PubChem CID164630065
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide
SMILESCc1nnnn1-c1ccc(C(=O)N[C@H]2CCCOC2)c(F)c1
InChIInChI=1S/C14H16FN5O2/c1-9-17-18-19-20(9)11-4-5-12(13(15)7-11)14(21)16-10-3-2-6-22-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,21)/t10-/m0/s1
InChIKeyWEUJSYZHYSTWOE-JTQLQIEISA-N
XLogP1.02
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide?
The IUPAC name of 2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide (CID 164630065) is 2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide?
The canonical SMILES for 2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide is Cc1nnnn1-c1ccc(C(=O)N[C@H]2CCCOC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide?
The InChIKey is WEUJSYZHYSTWOE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-9-17-18-19-20(9)11-4-5-12(13(15)7-11)14(21)16-10-3-2-6-22-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,21)/t10-/m0/s1.
What are the key properties of 2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide?
2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide has a molecular weight of 305.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5-methyltetrazol-1-yl)-N-[(3S)-oxan-3-yl]benzamide is sourced from PubChem (CID 164630065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).