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

C15H17F2N3O2 — CID 99835495

IUPAC(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
SMILESCCc1nnc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1
InChIInChI=1S/C15H17F2N3O2/c1-2-13-19-20-14(22-13)8-18-12-5-6-21-15(12)9-3-4-10(16)11(17)7-9/h3-4,7,12,15,18H,2,5-6,8H2,1H3/t12-,15-/m1/s1
InChIKeyIWZAXAVWJKYZNO-IUODEOHRSA-N
MW309.32 g/mol
LogP2.53
Rot. Bonds5

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

(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine (PubChem CID 99835495) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
PubChem CID99835495
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
SMILESCCc1nnc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1
InChIInChI=1S/C15H17F2N3O2/c1-2-13-19-20-14(22-13)8-18-12-5-6-21-15(12)9-3-4-10(16)11(17)7-9/h3-4,7,12,15,18H,2,5-6,8H2,1H3/t12-,15-/m1/s1
InChIKeyIWZAXAVWJKYZNO-IUODEOHRSA-N
XLogP2.53
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 99835530
(2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 97336740
(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 97336733
2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 75445170
(2S,3S)-2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 97336721
(2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine
CID 97336723
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133435266
3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide
CID 120874088
4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-4-oxobutanoic acid
CID 120552158
5-bromo-2-N-[(2R,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-4-N-methylpyrimidine-2,4-diamine
CID 99635271
N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-2-methyl-3-methylsulfanylpropanamide
CID 139021702

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine?
The IUPAC name of (2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine (CID 99835495) is (2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine?
The canonical SMILES for (2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine is CCc1nnc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1.
What is the InChIKey of (2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine?
The InChIKey is IWZAXAVWJKYZNO-IUODEOHRSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-2-13-19-20-14(22-13)8-18-12-5-6-21-15(12)9-3-4-10(16)11(17)7-9/h3-4,7,12,15,18H,2,5-6,8H2,1H3/t12-,15-/m1/s1.
What are the key properties of (2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine?
(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine has a molecular weight of 309.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 99835495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).