N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine

C9H14N2O2 — CID 131203679

IUPACN-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine
SMILESCc1cc([C@@H](C)NC2COC2)no1
InChIInChI=1S/C9H14N2O2/c1-6-3-9(11-13-6)7(2)10-8-4-12-5-8/h3,7-8,10H,4-5H2,1-2H3/t7-/m1/s1
InChIKeyMTLRBZGHBJADKZ-SSDOTTSWSA-N
MW182.22 g/mol
LogP1.03
Rot. Bonds3

About N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine

N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine (PubChem CID 131203679) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine
PubChem CID131203679
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine
SMILESCc1cc([C@@H](C)NC2COC2)no1
InChIInChI=1S/C9H14N2O2/c1-6-3-9(11-13-6)7(2)10-8-4-12-5-8/h3,7-8,10H,4-5H2,1-2H3/t7-/m1/s1
InChIKeyMTLRBZGHBJADKZ-SSDOTTSWSA-N
XLogP1.03
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine?
The IUPAC name of N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine (CID 131203679) is N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine?
The canonical SMILES for N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine is Cc1cc([C@@H](C)NC2COC2)no1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine?
The InChIKey is MTLRBZGHBJADKZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-3-9(11-13-6)7(2)10-8-4-12-5-8/h3,7-8,10H,4-5H2,1-2H3/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine?
N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine has a molecular weight of 182.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]oxetan-3-amine is sourced from PubChem (CID 131203679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).