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

C10H16N2O2 — CID 131107703

IUPAC(2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
SMILESCc1ocnc1CN[C@@H]1CCO[C@@H]1C
InChIInChI=1S/C10H16N2O2/c1-7-9(3-4-13-7)11-5-10-8(2)14-6-12-10/h6-7,9,11H,3-5H2,1-2H3/t7-,9-/m1/s1
InChIKeyDNRDBHKZALGPEM-VXNVDRBHSA-N
MW196.25 g/mol
LogP1.25
Rot. Bonds3

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

(2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine (PubChem CID 131107703) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
PubChem CID131107703
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
SMILESCc1ocnc1CN[C@@H]1CCO[C@@H]1C
InChIInChI=1S/C10H16N2O2/c1-7-9(3-4-13-7)11-5-10-8(2)14-6-12-10/h6-7,9,11H,3-5H2,1-2H3/t7-,9-/m1/s1
InChIKeyDNRDBHKZALGPEM-VXNVDRBHSA-N
XLogP1.25
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 115338606
N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine
CID 131196732
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolan-3-amine
CID 115336384
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 115868289
2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
CID 82726551
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine
CID 82727643
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 103907127
(2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
CID 131031494
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
CID 130933670
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]oxolan-3-amine
CID 115335826
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine
CID 82726489

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine?
The IUPAC name of (2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine (CID 131107703) is (2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for (2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine is Cc1ocnc1CN[C@@H]1CCO[C@@H]1C.
What is the InChIKey of (2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine?
The InChIKey is DNRDBHKZALGPEM-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-9(3-4-13-7)11-5-10-8(2)14-6-12-10/h6-7,9,11H,3-5H2,1-2H3/t7-,9-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine?
(2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine has a molecular weight of 196.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 131107703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).