2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine

C13H14N4O2 — CID 47027516

IUPAC2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESCc1noc(C(C)Nc2ccc3oc(C)nc3c2)n1
InChIInChI=1S/C13H14N4O2/c1-7(13-15-8(2)17-19-13)14-10-4-5-12-11(6-10)16-9(3)18-12/h4-7,14H,1-3H3
InChIKeyXIEDKNUFRRDRNP-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine

2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine (PubChem CID 47027516) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
PubChem CID47027516
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESCc1noc(C(C)Nc2ccc3oc(C)nc3c2)n1
InChIInChI=1S/C13H14N4O2/c1-7(13-15-8(2)17-19-13)14-10-4-5-12-11(6-10)16-9(3)18-12/h4-7,14H,1-3H3
InChIKeyXIEDKNUFRRDRNP-UHFFFAOYSA-N
XLogP3.00
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine
CID 97059814
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
CID 47155576
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 107167672
N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43110726
2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 115917264
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 34282424
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43769785
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 82964735
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
4-ethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 95337872
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine (CID 47027516) is 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine is Cc1noc(C(C)Nc2ccc3oc(C)nc3c2)n1.
What is the InChIKey of 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The InChIKey is XIEDKNUFRRDRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-7(13-15-8(2)17-19-13)14-10-4-5-12-11(6-10)16-9(3)18-12/h4-7,14H,1-3H3.
What are the key properties of 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine has a molecular weight of 258.28 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 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 47027516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).