4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide

C16H18FN7O2 — CID 124757424

IUPAC4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCc1noc([C@@H](C)NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H18FN7O2/c1-10(16-19-11(2)22-26-16)18-14(25)4-3-9-24-21-15(20-23-24)12-5-7-13(17)8-6-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,25)/t10-/m1/s1
InChIKeyWJAOIURWYUDQOX-SNVBAGLBSA-N
MW359.37 g/mol
LogP1.83
Rot. Bonds7

About 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide

4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide (PubChem CID 124757424) has the molecular formula C16H18FN7O2 and a molecular weight of 359.37 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
PubChem CID124757424
Molecular FormulaC16H18FN7O2
Molecular Weight359.37 g/mol
Exact Mass359.15
IUPAC Name4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCc1noc([C@@H](C)NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H18FN7O2/c1-10(16-19-11(2)22-26-16)18-14(25)4-3-9-24-21-15(20-23-24)12-5-7-13(17)8-6-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,25)/t10-/m1/s1
InChIKeyWJAOIURWYUDQOX-SNVBAGLBSA-N
XLogP1.83
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 99972025
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide
CID 135095450
4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 552573
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 60606531
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 156587114
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101346
(2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560493
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 47087614
N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 47085930
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide (CID 124757424) is 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide is Cc1noc([C@@H](C)NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The InChIKey is WJAOIURWYUDQOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18FN7O2/c1-10(16-19-11(2)22-26-16)18-14(25)4-3-9-24-21-15(20-23-24)12-5-7-13(17)8-6-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,25)/t10-/m1/s1.
What are the key properties of 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide has a molecular weight of 359.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 124757424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).