N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C16H17FN6O2 — CID 856763

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1noc(C)c1CCNC(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN6O2/c1-10-14(11(2)25-21-10)7-8-18-15(24)9-23-20-16(19-22-23)12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3,(H,18,24)
InChIKeyMUWOGIKPRWAAOS-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.44
Rot. Bonds6

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 856763) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID856763
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1noc(C)c1CCNC(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN6O2/c1-10-14(11(2)25-21-10)7-8-18-15(24)9-23-20-16(19-22-23)12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3,(H,18,24)
InChIKeyMUWOGIKPRWAAOS-UHFFFAOYSA-N
XLogP1.44
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide
CID 856760
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 8598231
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7306317
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 7993306
N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 8598220
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
2-fluoro-N-[4-[2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1440135
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121057941
N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112529878
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 16517367

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 856763) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is Cc1noc(C)c1CCNC(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is MUWOGIKPRWAAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O2/c1-10-14(11(2)25-21-10)7-8-18-15(24)9-23-20-16(19-22-23)12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3,(H,18,24).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 344.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 856763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).