(1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol

C23H27N5O2 — CID 163319120

IUPAC(1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol
SMILESCc1cc(CN(C)C[C@@H]2[C@@H](c3ccccc3)[C@]23CN(c2ncccn2)C[C@H]3O)on1
InChIInChI=1S/C23H27N5O2/c1-16-11-18(30-26-16)12-27(2)13-19-21(17-7-4-3-5-8-17)23(19)15-28(14-20(23)29)22-24-9-6-10-25-22/h3-11,19-21,29H,12-15H2,1-2H3/t19-,20-,21-,23-/m1/s1
InChIKeyKZEVYUMOYPZWIU-YYTDSSBASA-N
MW405.50 g/mol
LogP2.49
Rot. Bonds6

About (1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol

(1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol (PubChem CID 163319120) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol.

Molecular Properties

Compound Name(1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol
PubChem CID163319120
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol
SMILESCc1cc(CN(C)C[C@@H]2[C@@H](c3ccccc3)[C@]23CN(c2ncccn2)C[C@H]3O)on1
InChIInChI=1S/C23H27N5O2/c1-16-11-18(30-26-16)12-27(2)13-19-21(17-7-4-3-5-8-17)23(19)15-28(14-20(23)29)22-24-9-6-10-25-22/h3-11,19-21,29H,12-15H2,1-2H3/t19-,20-,21-,23-/m1/s1
InChIKeyKZEVYUMOYPZWIU-YYTDSSBASA-N
XLogP2.49
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol with MolForge

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Related Compounds

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1-(2-methoxyphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
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CID 125165131
[(1R,2S,3R,4S)-4-hydroxy-1-(morpholin-4-ylmethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 157018690
N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 162631251
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 135110745
2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid
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4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol?
The IUPAC name of (1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol (CID 163319120) is (1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol.
What is the SMILES notation for (1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol?
The canonical SMILES for (1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol is Cc1cc(CN(C)C[C@@H]2[C@@H](c3ccccc3)[C@]23CN(c2ncccn2)C[C@H]3O)on1.
What is the InChIKey of (1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol?
The InChIKey is KZEVYUMOYPZWIU-YYTDSSBASA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-11-18(30-26-16)12-27(2)13-19-21(17-7-4-3-5-8-17)23(19)15-28(14-20(23)29)22-24-9-6-10-25-22/h3-11,19-21,29H,12-15H2,1-2H3/t19-,20-,21-,23-/m1/s1.
What are the key properties of (1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol?
(1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol has a molecular weight of 405.50 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-1-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-2-phenyl-6-pyrimidin-2-yl-6-azaspiro[2.4]heptan-4-ol is sourced from PubChem (CID 163319120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).