5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine

C16H16N4O2 — CID 167876122

IUPAC5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2nnc(NC3CCc4ccccc4C3)o2)no1
InChIInChI=1S/C16H16N4O2/c1-10-8-14(20-22-10)15-18-19-16(21-15)17-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,8,13H,6-7,9H2,1H3,(H,17,19)
InChIKeyYHCOHQZOJMEEBN-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.00
Rot. Bonds3

About 5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine

5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 167876122) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID167876122
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2nnc(NC3CCc4ccccc4C3)o2)no1
InChIInChI=1S/C16H16N4O2/c1-10-8-14(20-22-10)15-18-19-16(21-15)17-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,8,13H,6-7,9H2,1H3,(H,17,19)
InChIKeyYHCOHQZOJMEEBN-UHFFFAOYSA-N
XLogP3.00
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorobenzyl)-3-[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16189087
3-[5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl]-N-[1-(1-naphthyl)ethyl]propanamide
CID 16190305
N-(1,2-diphenylethyl)-3-[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16191421
3-[5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide
CID 24793099
N-(diphenylmethyl)-3-[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16187829
N-methyl-3-[5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl]-N-(1-naphthylmethyl)propanamide
CID 16189039
N-methyl-3-[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylethyl)propanamide
CID 16190412
N-[1-(4-fluorophenyl)ethyl]-3-[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16191591
N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 24791645
5-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)isoxazole-3-carboxamide
CID 16953752
US11390631, Example 74
CID 134461267
3-[5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenylpropyl)propanamide
CID 25457533

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine (CID 167876122) is 5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine is Cc1cc(-c2nnc(NC3CCc4ccccc4C3)o2)no1.
What is the InChIKey of 5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is YHCOHQZOJMEEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-8-14(20-22-10)15-18-19-16(21-15)17-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,8,13H,6-7,9H2,1H3,(H,17,19).
What are the key properties of 5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 296.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2-oxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167876122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).