(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine

C17H25N3O2 — CID 129341563

IUPAC(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine
SMILESCc1c([C@H]2OCC[C@@H]2N[C@@H](C)CCc2ccco2)cnn1C
InChIInChI=1S/C17H25N3O2/c1-12(6-7-14-5-4-9-21-14)19-16-8-10-22-17(16)15-11-18-20(3)13(15)2/h4-5,9,11-12,16-17,19H,6-8,10H2,1-3H3/t12-,16-,17+/m0/s1
InChIKeyZBVZZBSYBJCWLH-AFAVFJNCSA-N
MW303.41 g/mol
LogP2.76
Rot. Bonds6

About (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine

(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine (PubChem CID 129341563) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine
PubChem CID129341563
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine
SMILESCc1c([C@H]2OCC[C@@H]2N[C@@H](C)CCc2ccco2)cnn1C
InChIInChI=1S/C17H25N3O2/c1-12(6-7-14-5-4-9-21-14)19-16-8-10-22-17(16)15-11-18-20(3)13(15)2/h4-5,9,11-12,16-17,19H,6-8,10H2,1-3H3/t12-,16-,17+/m0/s1
InChIKeyZBVZZBSYBJCWLH-AFAVFJNCSA-N
XLogP2.76
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 129476158
(2R,4R)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129474767
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 129400622
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
CID 102671262
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
1-ethylsulfonyl-N-[4-(furan-2-yl)butan-2-yl]piperidin-4-amine
CID 43478927
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 128976319
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627
N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634568
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128969421
(2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
CID 129327175

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine?
The IUPAC name of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine (CID 129341563) is (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine.
What is the SMILES notation for (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine?
The canonical SMILES for (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine is Cc1c([C@H]2OCC[C@@H]2N[C@@H](C)CCc2ccco2)cnn1C.
What is the InChIKey of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine?
The InChIKey is ZBVZZBSYBJCWLH-AFAVFJNCSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(6-7-14-5-4-9-21-14)19-16-8-10-22-17(16)15-11-18-20(3)13(15)2/h4-5,9,11-12,16-17,19H,6-8,10H2,1-3H3/t12-,16-,17+/m0/s1.
What are the key properties of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine?
(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine has a molecular weight of 303.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]oxolan-3-amine is sourced from PubChem (CID 129341563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).