3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol

C15H22N2O2 — CID 115251983

IUPAC3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol
SMILESCc1nc2cc(N(C)CC(CO)C(C)C)ccc2o1
InChIInChI=1S/C15H22N2O2/c1-10(2)12(9-18)8-17(4)13-5-6-15-14(7-13)16-11(3)19-15/h5-7,10,12,18H,8-9H2,1-4H3
InChIKeyZXLXCPCMELYHGH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.84
Rot. Bonds5

About 3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol

3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol (PubChem CID 115251983) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol
PubChem CID115251983
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol
SMILESCc1nc2cc(N(C)CC(CO)C(C)C)ccc2o1
InChIInChI=1S/C15H22N2O2/c1-10(2)12(9-18)8-17(4)13-5-6-15-14(7-13)16-11(3)19-15/h5-7,10,12,18H,8-9H2,1-4H3
InChIKeyZXLXCPCMELYHGH-UHFFFAOYSA-N
XLogP2.84
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]ethanethiol
CID 115223857
2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 115152327
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde
CID 115222828
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide
CID 115166115
2-amino-3-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115179238
3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol
CID 115134171
[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]methanethiol
CID 115227813
3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol
CID 115251995
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
N-[(2R)-2,3-dihydroxypropyl]-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 125156599
N,N',N'-trimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)methanediamine
CID 116909296

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol (CID 115251983) is 3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol is Cc1nc2cc(N(C)CC(CO)C(C)C)ccc2o1.
What is the InChIKey of 3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol?
The InChIKey is ZXLXCPCMELYHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)12(9-18)8-17(4)13-5-6-15-14(7-13)16-11(3)19-15/h5-7,10,12,18H,8-9H2,1-4H3.
What are the key properties of 3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol?
3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 115251983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).