N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

C13H20N2O2 — CID 114241788

IUPACN-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCC1COCCC1c1cnc(CNC2CC2)o1
InChIInChI=1S/C13H20N2O2/c1-9-8-16-5-4-11(9)12-6-15-13(17-12)7-14-10-2-3-10/h6,9-11,14H,2-5,7-8H2,1H3
InChIKeyAXXNICQQSZNQFP-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.07
Rot. Bonds4

About N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (PubChem CID 114241788) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
PubChem CID114241788
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCC1COCCC1c1cnc(CNC2CC2)o1
InChIInChI=1S/C13H20N2O2/c1-9-8-16-5-4-11(9)12-6-15-13(17-12)7-14-10-2-3-10/h6,9-11,14H,2-5,7-8H2,1H3
InChIKeyAXXNICQQSZNQFP-UHFFFAOYSA-N
XLogP2.07
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-methylcyclopentyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 107185095
N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 114241670
N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184155
2-[(cyclopentylamino)methyl]-1,3-oxazol-5-amine
CID 117187878
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 103311183
N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183813
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184115
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183913
N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183995
[5-(2-methyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine
CID 79763380
N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 114823715

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (CID 114241788) is N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is CC1COCCC1c1cnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The InChIKey is AXXNICQQSZNQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-8-16-5-4-11(9)12-6-15-13(17-12)7-14-10-2-3-10/h6,9-11,14H,2-5,7-8H2,1H3.
What are the key properties of N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine has a molecular weight of 236.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114241788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).