1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine

C12H14N2O2 — CID 117311054

IUPAC1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine
SMILESCOc1nc2c(CC3(N)CC3)cccc2o1
InChIInChI=1S/C12H14N2O2/c1-15-11-14-10-8(7-12(13)5-6-12)3-2-4-9(10)16-11/h2-4H,5-7,13H2,1H3
InChIKeyYRPISCPFFNPGRA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.87
Rot. Bonds3

About 1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine

1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine (PubChem CID 117311054) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine
PubChem CID117311054
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine
SMILESCOc1nc2c(CC3(N)CC3)cccc2o1
InChIInChI=1S/C12H14N2O2/c1-15-11-14-10-8(7-12(13)5-6-12)3-2-4-9(10)16-11/h2-4H,5-7,13H2,1H3
InChIKeyYRPISCPFFNPGRA-UHFFFAOYSA-N
XLogP1.87
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine (CID 117311054) is 1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine is COc1nc2c(CC3(N)CC3)cccc2o1.
What is the InChIKey of 1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is YRPISCPFFNPGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-11-14-10-8(7-12(13)5-6-12)3-2-4-9(10)16-11/h2-4H,5-7,13H2,1H3.
What are the key properties of 1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine?
1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 218.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-1,3-benzoxazol-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117311054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).