1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine

C8H12N2O — CID 61320357

IUPAC1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESc1cc(CNCC2CC2)on1
InChIInChI=1S/C8H12N2O/c1-2-7(1)5-9-6-8-3-4-10-11-8/h3-4,7,9H,1-2,5-6H2
InChIKeyXDIDUZLKXPOUOX-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.17
Rot. Bonds4

About 1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine

1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 61320357) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID61320357
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESc1cc(CNCC2CC2)on1
InChIInChI=1S/C8H12N2O/c1-2-7(1)5-9-6-8-3-4-10-11-8/h3-4,7,9H,1-2,5-6H2
InChIKeyXDIDUZLKXPOUOX-UHFFFAOYSA-N
XLogP1.17
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 61320357) is 1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine is c1cc(CNCC2CC2)on1.
What is the InChIKey of 1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is XDIDUZLKXPOUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-7(1)5-9-6-8-3-4-10-11-8/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 152.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 61320357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).