5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine

C14H17N3O2 — CID 72880115

IUPAC5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1CNc1nnc(C2CCC2)o1
InChIInChI=1S/C14H17N3O2/c1-18-12-8-3-2-5-11(12)9-15-14-17-16-13(19-14)10-6-4-7-10/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,15,17)
InChIKeyZAOOUUGYRXECMB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.96
Rot. Bonds5

About 5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine

5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72880115) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID72880115
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1CNc1nnc(C2CCC2)o1
InChIInChI=1S/C14H17N3O2/c1-18-12-8-3-2-5-11(12)9-15-14-17-16-13(19-14)10-6-4-7-10/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,15,17)
InChIKeyZAOOUUGYRXECMB-UHFFFAOYSA-N
XLogP2.96
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclohexyl-N-[(5-methoxy-4-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 167816014
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106966308
5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 72838563
6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 171997091
7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 138052378
2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 167743789
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068164
1-(2-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79889709
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 72855666
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 72880115) is 5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine is COc1ccccc1CNc1nnc(C2CCC2)o1.
What is the InChIKey of 5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZAOOUUGYRXECMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-12-8-3-2-5-11(12)9-15-14-17-16-13(19-14)10-6-4-7-10/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,15,17).
What are the key properties of 5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72880115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).