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

C14H24N2O — CID 65184883

IUPACN-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1ncc(CC2CC2)o1
InChIInChI=1S/C14H24N2O/c1-14(2,3)16-8-4-5-13-15-10-12(17-13)9-11-6-7-11/h10-11,16H,4-9H2,1-3H3
InChIKeyNIYCRPJOFFPJSV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.95
Rot. Bonds6

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

N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine (PubChem CID 65184883) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
PubChem CID65184883
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1ncc(CC2CC2)o1
InChIInChI=1S/C14H24N2O/c1-14(2,3)16-8-4-5-13-15-10-12(17-13)9-11-6-7-11/h10-11,16H,4-9H2,1-3H3
InChIKeyNIYCRPJOFFPJSV-UHFFFAOYSA-N
XLogP2.95
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.95
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-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 114459250
N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65183874
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 114459249
N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 103166380
2-methyl-N-[3-[5-(oxan-4-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
CID 65184626
N-[3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62164255
2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
CID 65184839
3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 103167128
2-methyl-N-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]propan-2-amine
CID 65182161
N-[2-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182633
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 65185034
N-[2-[5-(methoxymethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182549

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine (CID 65184883) is N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCc1ncc(CC2CC2)o1.
What is the InChIKey of N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is NIYCRPJOFFPJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)16-8-4-5-13-15-10-12(17-13)9-11-6-7-11/h10-11,16H,4-9H2,1-3H3.
What are the key properties of N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65184883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).