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

C15H20N2O2 — CID 116941871

IUPAC4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
SMILESCc1nc2cc(C(N)C3CCC(O)CC3)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-9-17-13-8-11(4-7-14(13)19-9)15(16)10-2-5-12(18)6-3-10/h4,7-8,10,12,15,18H,2-3,5-6,16H2,1H3
InChIKeyGIFIXTVOOZPZGI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.69
Rot. Bonds2

About 4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol

4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol (PubChem CID 116941871) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
PubChem CID116941871
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
SMILESCc1nc2cc(C(N)C3CCC(O)CC3)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-9-17-13-8-11(4-7-14(13)19-9)15(16)10-2-5-12(18)6-3-10/h4,7-8,10,12,15,18H,2-3,5-6,16H2,1H3
InChIKeyGIFIXTVOOZPZGI-UHFFFAOYSA-N
XLogP2.69
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
amino-(2-methyl-1,3-benzoxazol-5-yl)methanethiol
CID 116939524
4-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
CID 116928501
3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937388
4-[amino-(4-methylphenyl)methyl]cyclohexan-1-ol
CID 116941804
4-[amino(naphthalen-2-yl)methyl]cyclohexan-1-ol
CID 116941899
hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
CID 116947497
2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol
CID 116836117
methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116954712
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491
N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine
CID 116906430
2,3-dihydroxy-3-(2-methyl-1,3-benzoxazol-5-yl)propanenitrile
CID 171870464

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol (CID 116941871) is 4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol is Cc1nc2cc(C(N)C3CCC(O)CC3)ccc2o1.
What is the InChIKey of 4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol?
The InChIKey is GIFIXTVOOZPZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-17-13-8-11(4-7-14(13)19-9)15(16)10-2-5-12(18)6-3-10/h4,7-8,10,12,15,18H,2-3,5-6,16H2,1H3.
What are the key properties of 4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol?
4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116941871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).