N-propyl-4,5-dihydro-1,3-oxazol-2-amine

C6H12N2O — CID 20523834

IUPACN-propyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCCNC1=NCCO1
InChIInChI=1S/C6H12N2O/c1-2-3-7-6-8-4-5-9-6/h2-5H2,1H3,(H,7,8)
InChIKeyAPQVAMGHOSCOJQ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.37
Rot. Bonds2

About N-propyl-4,5-dihydro-1,3-oxazol-2-amine

N-propyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 20523834) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-propyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-propyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID20523834
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-propyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCCNC1=NCCO1
InChIInChI=1S/C6H12N2O/c1-2-3-7-6-8-4-5-9-6/h2-5H2,1H3,(H,7,8)
InChIKeyAPQVAMGHOSCOJQ-UHFFFAOYSA-N
XLogP0.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-propyl-4,5-dihydro-1,3-oxazol-2-amine (CID 20523834) is N-propyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-propyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-propyl-4,5-dihydro-1,3-oxazol-2-amine is CCCNC1=NCCO1.
What is the InChIKey of N-propyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is APQVAMGHOSCOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-3-7-6-8-4-5-9-6/h2-5H2,1H3,(H,7,8).
What are the key properties of N-propyl-4,5-dihydro-1,3-oxazol-2-amine?
N-propyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 128.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 20523834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).