1,3-oxazol-5-ylmethanamine;dihydrochloride

C4H8Cl2N2O — CID 71811106

IUPAC1,3-oxazol-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cnco1
InChIInChI=1S/C4H6N2O.2ClH/c5-1-4-2-6-3-7-4;;/h2-3H,1,5H2;2*1H
InChIKeyIQWZWXSBVWBWRB-UHFFFAOYSA-N
MW171.03 g/mol
LogP0.98
Rot. Bonds1

About 1,3-oxazol-5-ylmethanamine;dihydrochloride

1,3-oxazol-5-ylmethanamine;dihydrochloride (PubChem CID 71811106) has the molecular formula C4H8Cl2N2O and a molecular weight of 171.03 g/mol. Its IUPAC name is 1,3-oxazol-5-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1,3-oxazol-5-ylmethanamine;dihydrochloride
PubChem CID71811106
Molecular FormulaC4H8Cl2N2O
Molecular Weight171.03 g/mol
Exact Mass170.00
IUPAC Name1,3-oxazol-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cnco1
InChIInChI=1S/C4H6N2O.2ClH/c5-1-4-2-6-3-7-4;;/h2-3H,1,5H2;2*1H
InChIKeyIQWZWXSBVWBWRB-UHFFFAOYSA-N
XLogP0.98
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.03
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxazol-5-ylmethanamine
CID 23404337
5-Methyloxazole
CID 528411
(2-Methyl-1,3-oxazol-5-yl)methanamine
CID 19105071
(1,3-Oxazol-5-yl)methanamine hydrochloride
CID 45790095
(2-Ethyl-1,3-oxazol-5-yl)methanamine
CID 82074647
1-(2-Tert-butyl-1,3-oxazol-5-yl)methanamine
CID 82074678
1-[2-(Propan-2-yl)-1,3-oxazol-5-yl]methanamine
CID 82074655
1-(1,3-Oxazol-5-yl)ethan-1-amine dihydrochloride
CID 91812495
2-Chloro-5-methyl-1,3-oxazole hydrochloride
CID 117587776
2-(5-Methyloxazol-2-YL)ethan-1-amine dihydrochloride
CID 165691394
5-(Azidomethyl)-1,3-oxazole
CID 89782466
1-(Oxazol-5-yl)ethanamine
CID 18375760

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-ylmethanamine;dihydrochloride?
The IUPAC name of 1,3-oxazol-5-ylmethanamine;dihydrochloride (CID 71811106) is 1,3-oxazol-5-ylmethanamine;dihydrochloride.
What is the SMILES notation for 1,3-oxazol-5-ylmethanamine;dihydrochloride?
The canonical SMILES for 1,3-oxazol-5-ylmethanamine;dihydrochloride is Cl.Cl.NCc1cnco1.
What is the InChIKey of 1,3-oxazol-5-ylmethanamine;dihydrochloride?
The InChIKey is IQWZWXSBVWBWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.2ClH/c5-1-4-2-6-3-7-4;;/h2-3H,1,5H2;2*1H.
What are the key properties of 1,3-oxazol-5-ylmethanamine;dihydrochloride?
1,3-oxazol-5-ylmethanamine;dihydrochloride has a molecular weight of 171.03 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-ylmethanamine;dihydrochloride is sourced from PubChem (CID 71811106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).