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

C15H22N2O2 — CID 115134171

IUPAC3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol
SMILESCc1nc2cc(CN(C)C(C)(C)CCO)ccc2o1
InChIInChI=1S/C15H22N2O2/c1-11-16-13-9-12(5-6-14(13)19-11)10-17(4)15(2,3)7-8-18/h5-6,9,18H,7-8,10H2,1-4H3
InChIKeyUFHSQBSSKBTVSV-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.73
Rot. Bonds5

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

3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol (PubChem CID 115134171) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol
PubChem CID115134171
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol
SMILESCc1nc2cc(CN(C)C(C)(C)CCO)ccc2o1
InChIInChI=1S/C15H22N2O2/c1-11-16-13-9-12(5-6-14(13)19-11)10-17(4)15(2,3)7-8-18/h5-6,9,18H,7-8,10H2,1-4H3
InChIKeyUFHSQBSSKBTVSV-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134108
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115163065
N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine
CID 115200125
5-[[(4-hydroxy-2-methylbutan-2-yl)-methylamino]methyl]-3H-1,3-benzoxazol-2-one
CID 115134173
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol
CID 115133411
methyl 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]-2-oxoacetate
CID 115142497
4-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butanoic acid
CID 115218677
[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
CID 115229195
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 116932187
2,2-difluoro-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116838289

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol?
The IUPAC name of 3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol (CID 115134171) is 3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol is Cc1nc2cc(CN(C)C(C)(C)CCO)ccc2o1.
What is the InChIKey of 3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol?
The InChIKey is UFHSQBSSKBTVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-16-13-9-12(5-6-14(13)19-11)10-17(4)15(2,3)7-8-18/h5-6,9,18H,7-8,10H2,1-4H3.
What are the key properties of 3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol?
3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol is sourced from PubChem (CID 115134171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).