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

C8H14N2O2 — CID 148982082

IUPACN-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)on1
InChIInChI=1S/C8H14N2O2/c1-6(2)9-5-7-4-8(11-3)10-12-7/h4,6,9H,5H2,1-3H3
InChIKeyPVXYHCZWARDXRG-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.18
Rot. Bonds4

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

N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine (PubChem CID 148982082) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine
PubChem CID148982082
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)on1
InChIInChI=1S/C8H14N2O2/c1-6(2)9-5-7-4-8(11-3)10-12-7/h4,6,9H,5H2,1-3H3
InChIKeyPVXYHCZWARDXRG-UHFFFAOYSA-N
XLogP1.18
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine (CID 148982082) is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine is COc1cc(CNC(C)C)on1.
What is the InChIKey of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine?
The InChIKey is PVXYHCZWARDXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(2)9-5-7-4-8(11-3)10-12-7/h4,6,9H,5H2,1-3H3.
What are the key properties of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine?
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine has a molecular weight of 170.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 148982082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).