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

C15H18N4O2 — CID 171997378

IUPAC1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCC(C)c1noc(CN(C)Cc2noc3ccccc23)n1
InChIInChI=1S/C15H18N4O2/c1-10(2)15-16-14(21-18-15)9-19(3)8-12-11-6-4-5-7-13(11)20-17-12/h4-7,10H,8-9H2,1-3H3
InChIKeyPCHJSWWMNWCAOD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.97
Rot. Bonds5

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

1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 171997378) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID171997378
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCC(C)c1noc(CN(C)Cc2noc3ccccc23)n1
InChIInChI=1S/C15H18N4O2/c1-10(2)15-16-14(21-18-15)9-19(3)8-12-11-6-4-5-7-13(11)20-17-12/h4-7,10H,8-9H2,1-3H3
InChIKeyPCHJSWWMNWCAOD-UHFFFAOYSA-N
XLogP2.97
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 171997378) is 1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CC(C)c1noc(CN(C)Cc2noc3ccccc23)n1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is PCHJSWWMNWCAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(2)15-16-14(21-18-15)9-19(3)8-12-11-6-4-5-7-13(11)20-17-12/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 286.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 171997378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).