3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide

C16H20FN5O2 — CID 51082128

IUPAC3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)NCC1CCOC1
InChIInChI=1S/C16H20FN5O2/c1-11-19-20-21-22(11)15(8-12-3-2-4-14(17)7-12)16(23)18-9-13-5-6-24-10-13/h2-4,7,13,15H,5-6,8-10H2,1H3,(H,18,23)
InChIKeyAHZGDQCKBWSEDB-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.06
Rot. Bonds6

About 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide

3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 51082128) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
PubChem CID51082128
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)NCC1CCOC1
InChIInChI=1S/C16H20FN5O2/c1-11-19-20-21-22(11)15(8-12-3-2-4-14(17)7-12)16(23)18-9-13-5-6-24-10-13/h2-4,7,13,15H,5-6,8-10H2,1H3,(H,18,23)
InChIKeyAHZGDQCKBWSEDB-UHFFFAOYSA-N
XLogP1.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid
CID 119237695
N-[2-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119602128
3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide
CID 120575920
4-[2-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]ethyl]benzoic acid
CID 119168903
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78879461
3-(3-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119561159
1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119374164
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 55970907
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 166416460
1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119166807
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
CID 112828978
3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 111464206

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide (CID 51082128) is 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide is Cc1nnnn1C(Cc1cccc(F)c1)C(=O)NCC1CCOC1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is AHZGDQCKBWSEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-11-19-20-21-22(11)15(8-12-3-2-4-14(17)7-12)16(23)18-9-13-5-6-24-10-13/h2-4,7,13,15H,5-6,8-10H2,1H3,(H,18,23).
What are the key properties of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide?
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 333.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 51082128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).