2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine

C14H20N4O — CID 115238276

IUPAC2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NCC3CNCCN3C)cc2o1
InChIInChI=1S/C14H20N4O/c1-10-17-13-4-3-11(7-14(13)19-10)16-9-12-8-15-5-6-18(12)2/h3-4,7,12,15-16H,5-6,8-9H2,1-2H3
InChIKeyNMDFRVNXNIUDIS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.45
Rot. Bonds3

About 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine

2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine (PubChem CID 115238276) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine
PubChem CID115238276
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NCC3CNCCN3C)cc2o1
InChIInChI=1S/C14H20N4O/c1-10-17-13-4-3-11(7-14(13)19-10)16-9-12-8-15-5-6-18(12)2/h3-4,7,12,15-16H,5-6,8-9H2,1-2H3
InChIKeyNMDFRVNXNIUDIS-UHFFFAOYSA-N
XLogP1.45
TPSA53.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115230297
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211282
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 115229812
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-5-amine
CID 115230302
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115195764
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
CID 115260505
5-bromo-2-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline
CID 115238286
2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole
CID 154630496
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
CID 83483514
N-ethyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115205626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine (CID 115238276) is 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine is Cc1nc2ccc(NCC3CNCCN3C)cc2o1.
What is the InChIKey of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine?
The InChIKey is NMDFRVNXNIUDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-17-13-4-3-11(7-14(13)19-10)16-9-12-8-15-5-6-18(12)2/h3-4,7,12,15-16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine?
2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine has a molecular weight of 260.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115238276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).