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

C18H24N2O3 — CID 146138888

IUPAC3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol
SMILESCc1ncc(CN(Cc2cccc(O)c2)C2CCC(O)CC2)o1
InChIInChI=1S/C18H24N2O3/c1-13-19-10-18(23-13)12-20(15-5-7-16(21)8-6-15)11-14-3-2-4-17(22)9-14/h2-4,9-10,15-16,21-22H,5-8,11-12H2,1H3
InChIKeyRGRAEFGGYBQKQD-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.99
Rot. Bonds5

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

3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol (PubChem CID 146138888) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol
PubChem CID146138888
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol
SMILESCc1ncc(CN(Cc2cccc(O)c2)C2CCC(O)CC2)o1
InChIInChI=1S/C18H24N2O3/c1-13-19-10-18(23-13)12-20(15-5-7-16(21)8-6-15)11-14-3-2-4-17(22)9-14/h2-4,9-10,15-16,21-22H,5-8,11-12H2,1H3
InChIKeyRGRAEFGGYBQKQD-UHFFFAOYSA-N
XLogP2.99
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 111434936
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 110919062
3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067
3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
CID 111434933
N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide
CID 110929697
3-[[2,5-dioxaspiro[3.4]octan-6-ylmethyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 167980448
2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
CID 154747579
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
CID 56795293
3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol
CID 91838680
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-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol?
The IUPAC name of 3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol (CID 146138888) is 3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol is Cc1ncc(CN(Cc2cccc(O)c2)C2CCC(O)CC2)o1.
What is the InChIKey of 3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol?
The InChIKey is RGRAEFGGYBQKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-19-10-18(23-13)12-20(15-5-7-16(21)8-6-15)11-14-3-2-4-17(22)9-14/h2-4,9-10,15-16,21-22H,5-8,11-12H2,1H3.
What are the key properties of 3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol?
3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol has a molecular weight of 316.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 146138888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).