2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline

C14H19N3O — CID 113252882

IUPAC2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESCc1nc(CNc2ccccc2C(C)(C)C)no1
InChIInChI=1S/C14H19N3O/c1-10-16-13(17-18-10)9-15-12-8-6-5-7-11(12)14(2,3)4/h5-8,15H,9H2,1-4H3
InChIKeyRXFMJCSXMMUJFU-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.29
Rot. Bonds3

About 2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline

2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline (PubChem CID 113252882) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
PubChem CID113252882
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESCc1nc(CNc2ccccc2C(C)(C)C)no1
InChIInChI=1S/C14H19N3O/c1-10-16-13(17-18-10)9-15-12-8-6-5-7-11(12)14(2,3)4/h5-8,15H,9H2,1-4H3
InChIKeyRXFMJCSXMMUJFU-UHFFFAOYSA-N
XLogP3.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741993
2-N-ethyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411661
2,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741958
2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103742013
2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411587
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 114184263
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]naphthalene-1-carbothioamide
CID 106399554
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitropyridin-3-amine
CID 103703201
2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746510
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
CID 113243841
2-chloro-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103768023

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The IUPAC name of 2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline (CID 113252882) is 2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The canonical SMILES for 2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline is Cc1nc(CNc2ccccc2C(C)(C)C)no1.
What is the InChIKey of 2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The InChIKey is RXFMJCSXMMUJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-16-13(17-18-10)9-15-12-8-6-5-7-11(12)14(2,3)4/h5-8,15H,9H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline is sourced from PubChem (CID 113252882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).