N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine

C15H26N2O — CID 79145110

IUPACN-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncoc1CC1CCCCC1
InChIInChI=1S/C15H26N2O/c1-12(2)9-16-10-14-15(18-11-17-14)8-13-6-4-3-5-7-13/h11-13,16H,3-10H2,1-2H3
InChIKeyVZXCBZUFUSVJNA-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.54
Rot. Bonds6

About N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79145110) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID79145110
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncoc1CC1CCCCC1
InChIInChI=1S/C15H26N2O/c1-12(2)9-16-10-14-15(18-11-17-14)8-13-6-4-3-5-7-13/h11-13,16H,3-10H2,1-2H3
InChIKeyVZXCBZUFUSVJNA-UHFFFAOYSA-N
XLogP3.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79145769
N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 114459416
N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 65182513
N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 81100600
4-(cyclobutylmethyl)-5-propyl-1,3-oxazole
CID 88974502
N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181968
2-methyl-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144645
N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145469
N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752753
N-[[3-chloro-6-(cyclopentylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 66324406
N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558833
5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole
CID 118160521

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (CID 79145110) is N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncoc1CC1CCCCC1.
What is the InChIKey of N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VZXCBZUFUSVJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)9-16-10-14-15(18-11-17-14)8-13-6-4-3-5-7-13/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79145110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).