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

C9H15N3O2 — CID 131031494

IUPAC(2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
SMILESCc1nnc(CN[C@@H]2CCO[C@@H]2C)o1
InChIInChI=1S/C9H15N3O2/c1-6-8(3-4-13-6)10-5-9-12-11-7(2)14-9/h6,8,10H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKeyFEDQCCNQFCVLNP-HTRCEHHLSA-N
MW197.24 g/mol
LogP0.65
Rot. Bonds3

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

(2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine (PubChem CID 131031494) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
PubChem CID131031494
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
SMILESCc1nnc(CN[C@@H]2CCO[C@@H]2C)o1
InChIInChI=1S/C9H15N3O2/c1-6-8(3-4-13-6)10-5-9-12-11-7(2)14-9/h6,8,10H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKeyFEDQCCNQFCVLNP-HTRCEHHLSA-N
XLogP0.65
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
CID 107914602
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine
CID 82725575
3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine
CID 107914855
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolan-3-amine
CID 115336384
(2R,3R)-2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 131107703
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 115891208
2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
CID 82726551
(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
CID 97358188
9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 107914691
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
CID 130933670
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 115868289
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyloxolan-3-amine
CID 115892141

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine?
The IUPAC name of (2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine (CID 131031494) is (2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine?
The canonical SMILES for (2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine is Cc1nnc(CN[C@@H]2CCO[C@@H]2C)o1.
What is the InChIKey of (2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine?
The InChIKey is FEDQCCNQFCVLNP-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-8(3-4-13-6)10-5-9-12-11-7(2)14-9/h6,8,10H,3-5H2,1-2H3/t6-,8-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine?
(2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine has a molecular weight of 197.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 131031494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).