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

C14H15N3O2S — CID 71975792

IUPAC2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCOCc1nc2cc(NCc3scnc3C)ccc2o1
InChIInChI=1S/C14H15N3O2S/c1-9-13(20-8-16-9)6-15-10-3-4-12-11(5-10)17-14(19-12)7-18-2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyLKQJRGJQFUDQEV-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.35
Rot. Bonds5

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

2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine (PubChem CID 71975792) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine
PubChem CID71975792
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCOCc1nc2cc(NCc3scnc3C)ccc2o1
InChIInChI=1S/C14H15N3O2S/c1-9-13(20-8-16-9)6-15-10-3-4-12-11(5-10)17-14(19-12)7-18-2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyLKQJRGJQFUDQEV-UHFFFAOYSA-N
XLogP3.35
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine (CID 71975792) is 2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine is COCc1nc2cc(NCc3scnc3C)ccc2o1.
What is the InChIKey of 2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine?
The InChIKey is LKQJRGJQFUDQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-13(20-8-16-9)6-15-10-3-4-12-11(5-10)17-14(19-12)7-18-2/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine?
2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine has a molecular weight of 289.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 71975792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).