(2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine

C15H23N5O — CID 128996194

IUPAC(2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
SMILESCc1nn(C)cc1CN[C@H]1CCCO[C@@H]1c1nccn1C
InChIInChI=1S/C15H23N5O/c1-11-12(10-20(3)18-11)9-17-13-5-4-8-21-14(13)15-16-6-7-19(15)2/h6-7,10,13-14,17H,4-5,8-9H2,1-3H3/t13-,14-/m0/s1
InChIKeyNUJNMLSFMWURJC-KBPBESRZSA-N
MW289.38 g/mol
LogP1.47
Rot. Bonds4

About (2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine

(2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine (PubChem CID 128996194) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
PubChem CID128996194
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
SMILESCc1nn(C)cc1CN[C@H]1CCCO[C@@H]1c1nccn1C
InChIInChI=1S/C15H23N5O/c1-11-12(10-20(3)18-11)9-17-13-5-4-8-21-14(13)15-16-6-7-19(15)2/h6-7,10,13-14,17H,4-5,8-9H2,1-3H3/t13-,14-/m0/s1
InChIKeyNUJNMLSFMWURJC-KBPBESRZSA-N
XLogP1.47
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
The IUPAC name of (2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine (CID 128996194) is (2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine.
What is the SMILES notation for (2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
The canonical SMILES for (2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine is Cc1nn(C)cc1CN[C@H]1CCCO[C@@H]1c1nccn1C.
What is the InChIKey of (2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
The InChIKey is NUJNMLSFMWURJC-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-12(10-20(3)18-11)9-17-13-5-4-8-21-14(13)15-16-6-7-19(15)2/h6-7,10,13-14,17H,4-5,8-9H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine?
(2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine has a molecular weight of 289.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine is sourced from PubChem (CID 128996194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).