N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine

C8H14N2O — CID 57052776

IUPACN,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine
SMILESCN(C)CCCc1ccon1
InChIInChI=1S/C8H14N2O/c1-10(2)6-3-4-8-5-7-11-9-8/h5,7H,3-4,6H2,1-2H3
InChIKeyDORBEEITWHJGHE-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.17
Rot. Bonds4

About N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine

N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine (PubChem CID 57052776) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine
PubChem CID57052776
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine
SMILESCN(C)CCCc1ccon1
InChIInChI=1S/C8H14N2O/c1-10(2)6-3-4-8-5-7-11-9-8/h5,7H,3-4,6H2,1-2H3
InChIKeyDORBEEITWHJGHE-UHFFFAOYSA-N
XLogP1.17
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine (CID 57052776) is N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine is CN(C)CCCc1ccon1.
What is the InChIKey of N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine?
The InChIKey is DORBEEITWHJGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10(2)6-3-4-8-5-7-11-9-8/h5,7H,3-4,6H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine?
N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine has a molecular weight of 154.21 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1,2-oxazol-3-yl)propan-1-amine is sourced from PubChem (CID 57052776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).