[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane

C21H33N3O2 — CID 143732281

IUPAC[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane
SMILESC1CCCCC1.CN(CCN)CCc1cnc(C(O)c2ccccc2)o1
InChIInChI=1S/C15H21N3O2.C6H12/c1-18(10-8-16)9-7-13-11-17-15(20-13)14(19)12-5-3-2-4-6-12;1-2-4-6-5-3-1/h2-6,11,14,19H,7-10,16H2,1H3;1-6H2
InChIKeyNSXZCFCGDWKKIU-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.53
Rot. Bonds7

About [5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane

[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane (PubChem CID 143732281) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is [5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane.

Molecular Properties

Compound Name[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane
PubChem CID143732281
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane
SMILESC1CCCCC1.CN(CCN)CCc1cnc(C(O)c2ccccc2)o1
InChIInChI=1S/C15H21N3O2.C6H12/c1-18(10-8-16)9-7-13-11-17-15(20-13)14(19)12-5-3-2-4-6-12;1-2-4-6-5-3-1/h2-6,11,14,19H,7-10,16H2,1H3;1-6H2
InChIKeyNSXZCFCGDWKKIU-UHFFFAOYSA-N
XLogP3.53
TPSA75.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane?
The IUPAC name of [5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane (CID 143732281) is [5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane.
What is the SMILES notation for [5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane?
The canonical SMILES for [5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane is C1CCCCC1.CN(CCN)CCc1cnc(C(O)c2ccccc2)o1.
What is the InChIKey of [5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane?
The InChIKey is NSXZCFCGDWKKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.C6H12/c1-18(10-8-16)9-7-13-11-17-15(20-13)14(19)12-5-3-2-4-6-12;1-2-4-6-5-3-1/h2-6,11,14,19H,7-10,16H2,1H3;1-6H2.
What are the key properties of [5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane?
[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane has a molecular weight of 359.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-phenylmethanol;cyclohexane is sourced from PubChem (CID 143732281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).