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

C19H26N2O — CID 170752460

IUPAC1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCC1(C)CCCC(CNCc2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C19H26N2O/c1-19(2)10-6-7-15(12-19)13-20-14-17-11-18(22-21-17)16-8-4-3-5-9-16/h3-5,8-9,11,15,20H,6-7,10,12-14H2,1-2H3
InChIKeyZPYFOPQZETYSHZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.65
Rot. Bonds5

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

1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine (PubChem CID 170752460) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine
PubChem CID170752460
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCC1(C)CCCC(CNCc2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C19H26N2O/c1-19(2)10-6-7-15(12-19)13-20-14-17-11-18(22-21-17)16-8-4-3-5-9-16/h3-5,8-9,11,15,20H,6-7,10,12-14H2,1-2H3
InChIKeyZPYFOPQZETYSHZ-UHFFFAOYSA-N
XLogP4.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
CID 170752624
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
CID 162624310
1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111104199
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111391592
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol
CID 134232686

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine (CID 170752460) is 1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine is CC1(C)CCCC(CNCc2cc(-c3ccccc3)on2)C1.
What is the InChIKey of 1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine?
The InChIKey is ZPYFOPQZETYSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-19(2)10-6-7-15(12-19)13-20-14-17-11-18(22-21-17)16-8-4-3-5-9-16/h3-5,8-9,11,15,20H,6-7,10,12-14H2,1-2H3.
What are the key properties of 1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine?
1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine has a molecular weight of 298.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohexyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]methanamine is sourced from PubChem (CID 170752460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).