3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol

C19H26N2O3 — CID 110919062

IUPAC3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
SMILESCc1noc(C)c1CN(Cc1cccc(O)c1)C1CCC(O)CC1
InChIInChI=1S/C19H26N2O3/c1-13-19(14(2)24-20-13)12-21(16-6-8-17(22)9-7-16)11-15-4-3-5-18(23)10-15/h3-5,10,16-17,22-23H,6-9,11-12H2,1-2H3
InChIKeyACWWDBNILUASLN-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.30
Rot. Bonds5

About 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol

3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol (PubChem CID 110919062) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
PubChem CID110919062
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
SMILESCc1noc(C)c1CN(Cc1cccc(O)c1)C1CCC(O)CC1
InChIInChI=1S/C19H26N2O3/c1-13-19(14(2)24-20-13)12-21(16-6-8-17(22)9-7-16)11-15-4-3-5-18(23)10-15/h3-5,10,16-17,22-23H,6-9,11-12H2,1-2H3
InChIKeyACWWDBNILUASLN-UHFFFAOYSA-N
XLogP3.30
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol
CID 146138888
3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067
3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 111434936
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 75460721
3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
CID 111434933
2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
CID 154747579
3-[[2,5-dioxaspiro[3.4]octan-6-ylmethyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 167980448
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethylcyclopentanamine
CID 51081840
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
CID 56795293
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
CID 82982762

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol?
The IUPAC name of 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol (CID 110919062) is 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol is Cc1noc(C)c1CN(Cc1cccc(O)c1)C1CCC(O)CC1.
What is the InChIKey of 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol?
The InChIKey is ACWWDBNILUASLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-19(14(2)24-20-13)12-21(16-6-8-17(22)9-7-16)11-15-4-3-5-18(23)10-15/h3-5,10,16-17,22-23H,6-9,11-12H2,1-2H3.
What are the key properties of 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol?
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol has a molecular weight of 330.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 110919062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).