1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine

C11H18N2O — CID 115717515

IUPAC1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)CC2CC2)on1
InChIInChI=1S/C11H18N2O/c1-8(5-10-3-4-10)12-7-11-6-9(2)13-14-11/h6,8,10,12H,3-5,7H2,1-2H3
InChIKeyXOVSYLWBDULILT-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.26
Rot. Bonds5

About 1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine

1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine (PubChem CID 115717515) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine
PubChem CID115717515
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)CC2CC2)on1
InChIInChI=1S/C11H18N2O/c1-8(5-10-3-4-10)12-7-11-6-9(2)13-14-11/h6,8,10,12H,3-5,7H2,1-2H3
InChIKeyXOVSYLWBDULILT-UHFFFAOYSA-N
XLogP2.26
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine (CID 115717515) is 1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine is Cc1cc(CNC(C)CC2CC2)on1.
What is the InChIKey of 1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine?
The InChIKey is XOVSYLWBDULILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(5-10-3-4-10)12-7-11-6-9(2)13-14-11/h6,8,10,12H,3-5,7H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine?
1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine has a molecular weight of 194.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 115717515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).