N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine

C12H20N2O2 — CID 79145641

IUPACN-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1C1CCOCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)13-7-11-12(16-8-14-11)10-3-5-15-6-4-10/h8-10,13H,3-7H2,1-2H3
InChIKeyAZQDFCKXRPYMQY-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.07
Rot. Bonds4

About N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine

N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 79145641) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID79145641
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1C1CCOCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)13-7-11-12(16-8-14-11)10-3-5-15-6-4-10/h8-10,13H,3-7H2,1-2H3
InChIKeyAZQDFCKXRPYMQY-UHFFFAOYSA-N
XLogP2.07
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 79145641) is N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1ncoc1C1CCOCC1.
What is the InChIKey of N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is AZQDFCKXRPYMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)13-7-11-12(16-8-14-11)10-3-5-15-6-4-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 224.30 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-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79145641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).