[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine

C13H14N2O — CID 65180076

IUPAC[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(C2(c3ccccc3)CC2)o1
InChIInChI=1S/C13H14N2O/c14-8-12-15-9-11(16-12)13(6-7-13)10-4-2-1-3-5-10/h1-5,9H,6-8,14H2
InChIKeyXYTZGMNQUBENLN-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.21
Rot. Bonds3

About [5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine

[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65180076) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is [5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine
PubChem CID65180076
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(C2(c3ccccc3)CC2)o1
InChIInChI=1S/C13H14N2O/c14-8-12-15-9-11(16-12)13(6-7-13)10-4-2-1-3-5-10/h1-5,9H,6-8,14H2
InChIKeyXYTZGMNQUBENLN-UHFFFAOYSA-N
XLogP2.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine
CID 65179292
2-(chloromethyl)-5-(1-phenylcyclopropyl)-1,3-oxazole
CID 65179918
[5-(4-methyloxan-4-yl)-1,3-oxazol-2-yl]methanamine
CID 115020665
5-(aminomethyl)-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 64574343
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
N-methyl-1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methanamine
CID 63078293
[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
CID 65180073
5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine
CID 62877248
[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
CID 63108823
2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 63079037
N-[[5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62881941
[5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine
CID 65178572

Frequently Asked Questions

What is the IUPAC name of [5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine (CID 65180076) is [5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine is NCc1ncc(C2(c3ccccc3)CC2)o1.
What is the InChIKey of [5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is XYTZGMNQUBENLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-8-12-15-9-11(16-12)13(6-7-13)10-4-2-1-3-5-10/h1-5,9H,6-8,14H2.
What are the key properties of [5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine?
[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 214.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65180076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).