(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine

C9H14N2O2 — CID 139599729

IUPAC(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine
SMILESCc1cc(C[C@@H]2COC[C@@H]2N)on1
InChIInChI=1S/C9H14N2O2/c1-6-2-8(13-11-6)3-7-4-12-5-9(7)10/h2,7,9H,3-5,10H2,1H3/t7-,9+/m1/s1
InChIKeyZTOGKNKUDLFMJE-APPZFPTMSA-N
MW182.22 g/mol
LogP0.50
Rot. Bonds2

About (3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine

(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine (PubChem CID 139599729) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine
PubChem CID139599729
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine
SMILESCc1cc(C[C@@H]2COC[C@@H]2N)on1
InChIInChI=1S/C9H14N2O2/c1-6-2-8(13-11-6)3-7-4-12-5-9(7)10/h2,7,9H,3-5,10H2,1H3/t7-,9+/m1/s1
InChIKeyZTOGKNKUDLFMJE-APPZFPTMSA-N
XLogP0.50
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-ethyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1,3-thiazole-5-carboxamide
CID 72899403
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
CID 133114989
3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72860647
1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide
CID 72900836
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide
CID 72938051
5,6-dimethyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 163306620
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 82237400
2-amino-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 154915545
5-acetyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]thiophene-3-carboxamide
CID 72891636
5-acetyl-2,4-dimethyl-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 133134089
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 72850871
2-amino-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 135111947

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine?
The IUPAC name of (3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine (CID 139599729) is (3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine?
The canonical SMILES for (3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine is Cc1cc(C[C@@H]2COC[C@@H]2N)on1.
What is the InChIKey of (3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine?
The InChIKey is ZTOGKNKUDLFMJE-APPZFPTMSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-2-8(13-11-6)3-7-4-12-5-9(7)10/h2,7,9H,3-5,10H2,1H3/t7-,9+/m1/s1.
What are the key properties of (3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine?
(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine has a molecular weight of 182.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 139599729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).