N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine

C15H21N3O2 — CID 110456073

IUPACN-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(CCc2nnc(NC(C)(C)C)o2)cc1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)16-14-18-17-13(20-14)10-7-11-5-8-12(19-4)9-6-11/h5-6,8-9H,7,10H2,1-4H3,(H,16,18)
InChIKeyMKOLMPZCQWRGHO-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.07
Rot. Bonds5

About N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine

N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 110456073) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID110456073
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(CCc2nnc(NC(C)(C)C)o2)cc1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)16-14-18-17-13(20-14)10-7-11-5-8-12(19-4)9-6-11/h5-6,8-9H,7,10H2,1-4H3,(H,16,18)
InChIKeyMKOLMPZCQWRGHO-UHFFFAOYSA-N
XLogP3.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989
N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966531
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42395294
5-(5-aminopentyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 110456217
N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 110456066
2-(4-methoxyphenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653679
2-(4-methoxyphenyl)-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 44921707
N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 45212918
N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42458281
4-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]aniline
CID 102696265
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61324231
2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole
CID 167800402

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 110456073) is N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine is COc1ccc(CCc2nnc(NC(C)(C)C)o2)cc1.
What is the InChIKey of N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is MKOLMPZCQWRGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)16-14-18-17-13(20-14)10-7-11-5-8-12(19-4)9-6-11/h5-6,8-9H,7,10H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 275.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).