N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine

C11H18N2O — CID 79144994

IUPACN-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine
SMILESCC(C)(C)c1ocnc1CNC1CC1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10-9(13-7-14-10)6-12-8-4-5-8/h7-8,12H,4-6H2,1-3H3
InChIKeyKCKSKUJEPLYACO-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.22
Rot. Bonds3

About N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine

N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine (PubChem CID 79144994) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine
PubChem CID79144994
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine
SMILESCC(C)(C)c1ocnc1CNC1CC1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10-9(13-7-14-10)6-12-8-4-5-8/h7-8,12H,4-6H2,1-3H3
InChIKeyKCKSKUJEPLYACO-UHFFFAOYSA-N
XLogP2.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144683
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144806
N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 79145851
N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144897
N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 107186259
N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145469
N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145755
N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145001
N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79690662
N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine
CID 131196732
N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145750
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145568

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine (CID 79144994) is N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine is CC(C)(C)c1ocnc1CNC1CC1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The InChIKey is KCKSKUJEPLYACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)10-9(13-7-14-10)6-12-8-4-5-8/h7-8,12H,4-6H2,1-3H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine has a molecular weight of 194.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79144994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).