N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine

C18H32N2O — CID 114459250

IUPACN-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1ncc(CC2CCCCCC2)o1
InChIInChI=1S/C18H32N2O/c1-18(2,3)20-12-8-11-17-19-14-16(21-17)13-15-9-6-4-5-7-10-15/h14-15,20H,4-13H2,1-3H3
InChIKeyGUOOVLVTNWKWEH-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.51
Rot. Bonds6

About N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine

N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine (PubChem CID 114459250) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
PubChem CID114459250
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1ncc(CC2CCCCCC2)o1
InChIInChI=1S/C18H32N2O/c1-18(2,3)20-12-8-11-17-19-14-16(21-17)13-15-9-6-4-5-7-10-15/h14-15,20H,4-13H2,1-3H3
InChIKeyGUOOVLVTNWKWEH-UHFFFAOYSA-N
XLogP4.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 65184883
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 114459249
N-[3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62164255
N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65183874
N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 103166380
2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole
CID 65180053
2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178972
N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 65182513
N-[2-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182633
3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 103167128
2-methyl-N-[3-[5-(oxan-4-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
CID 65184626
2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole
CID 114459222

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine (CID 114459250) is N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCc1ncc(CC2CCCCCC2)o1.
What is the InChIKey of N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is GUOOVLVTNWKWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-18(2,3)20-12-8-11-17-19-14-16(21-17)13-15-9-6-4-5-7-10-15/h14-15,20H,4-13H2,1-3H3.
What are the key properties of N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114459250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).