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

C7H14N2O — CID 12074436

IUPACN,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(CC)C1=NCCO1
InChIInChI=1S/C7H14N2O/c1-3-9(4-2)7-8-5-6-10-7/h3-6H2,1-2H3
InChIKeySAMJYMQELVMMCT-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.50
Rot. Bonds3

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

N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 12074436) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID12074436
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(CC)C1=NCCO1
InChIInChI=1S/C7H14N2O/c1-3-9(4-2)7-8-5-6-10-7/h3-6H2,1-2H3
InChIKeySAMJYMQELVMMCT-UHFFFAOYSA-N
XLogP0.50
TPSA24.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity130

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-Dihydro-1,3-oxazol-2-yl)-4-methylpiperazine
CID 379839
1-(2-Methoxyethyl)-4,5-dihydroimidazole
CID 11629606
2-Ethoxy-1-methyl-4,5-dihydro-1H-imidazole
CID 23255757
N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine
CID 12074351
N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 18728208
2-(Aziridin-1-yl)-4,5-dihydro-1,3-oxazole
CID 19773895
2-Ethoxy-1,3-dimethyl-4,5-dihydroimidazol-1-ium
CID 20037385
N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine
CID 20523755
N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine
CID 20523803
N,N-dipropyl-4,5-dihydro-1,3-oxazol-2-amine
CID 20523808
1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole
CID 45087930
1-(2-Methoxyethyl)-4,5-dihydroimidazole;hydrochloride
CID 68123516

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine (CID 12074436) is N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine is CCN(CC)C1=NCCO1.
What is the InChIKey of N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is SAMJYMQELVMMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-9(4-2)7-8-5-6-10-7/h3-6H2,1-2H3.
What are the key properties of N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine?
N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 142.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 12074436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).