2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide

C15H18FN5O3 — CID 91796929

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN5O3/c1-23-13-9-24-7-6-12(13)17-14(22)8-21-19-15(18-20-21)10-2-4-11(16)5-3-10/h2-5,12-13H,6-9H2,1H3,(H,17,22)/t12-,13-/m1/s1
InChIKeyMACZBVHRMONUDN-CHWSQXEVSA-N
MW335.34 g/mol
LogP0.40
Rot. Bonds5

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide (PubChem CID 91796929) has the molecular formula C15H18FN5O3 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide
PubChem CID91796929
Molecular FormulaC15H18FN5O3
Molecular Weight335.34 g/mol
Exact Mass335.14
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN5O3/c1-23-13-9-24-7-6-12(13)17-14(22)8-21-19-15(18-20-21)10-2-4-11(16)5-3-10/h2-5,12-13H,6-9H2,1H3,(H,17,22)/t12-,13-/m1/s1
InChIKeyMACZBVHRMONUDN-CHWSQXEVSA-N
XLogP0.40
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide (CID 91796929) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide is CO[C@@H]1COCC[C@H]1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide?
The InChIKey is MACZBVHRMONUDN-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18FN5O3/c1-23-13-9-24-7-6-12(13)17-14(22)8-21-19-15(18-20-21)10-2-4-11(16)5-3-10/h2-5,12-13H,6-9H2,1H3,(H,17,22)/t12-,13-/m1/s1.
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide has a molecular weight of 335.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide is sourced from PubChem (CID 91796929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).