N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine

C16H20N2O — CID 170752624

IUPACN-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
SMILESc1ccc(-c2cc(CNC3CCCCC3)no2)cc1
InChIInChI=1S/C16H20N2O/c1-3-7-13(8-4-1)16-11-15(18-19-16)12-17-14-9-5-2-6-10-14/h1,3-4,7-8,11,14,17H,2,5-6,9-10,12H2
InChIKeyPIPYAHNOOYVWBG-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.76
Rot. Bonds4

About N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine (PubChem CID 170752624) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
PubChem CID170752624
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
SMILESc1ccc(-c2cc(CNC3CCCCC3)no2)cc1
InChIInChI=1S/C16H20N2O/c1-3-7-13(8-4-1)16-11-15(18-19-16)12-17-14-9-5-2-6-10-14/h1,3-4,7-8,11,14,17H,2,5-6,9-10,12H2
InChIKeyPIPYAHNOOYVWBG-UHFFFAOYSA-N
XLogP3.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
(2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
CID 75536316
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
CID 122569432
3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine
CID 166226623
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
benzene;N-benzylcyclohexanamine
CID 142622843
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
CID 122564765
2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111256219
N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine
CID 43222651
1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 110992891
(1R,6S)-6-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclohex-3-ene-1-carboxylic acid
CID 167840679
1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812610

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine (CID 170752624) is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine is c1ccc(-c2cc(CNC3CCCCC3)no2)cc1.
What is the InChIKey of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine?
The InChIKey is PIPYAHNOOYVWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-7-13(8-4-1)16-11-15(18-19-16)12-17-14-9-5-2-6-10-14/h1,3-4,7-8,11,14,17H,2,5-6,9-10,12H2.
What are the key properties of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine?
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine has a molecular weight of 256.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine is sourced from PubChem (CID 170752624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).