furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C22H25N5O4 — CID 51584582

IUPACfuran-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)c3ccco3)C2)on1
InChIInChI=1S/C22H25N5O4/c1-15-12-19(31-25-15)17-13-23-22(26-7-10-29-11-8-26)24-20(17)16-4-2-6-27(14-16)21(28)18-5-3-9-30-18/h3,5,9,12-13,16H,2,4,6-8,10-11,14H2,1H3/t16-/m1/s1
InChIKeyMTYIMHFMURWHRE-MRXNPFEDSA-N
MW423.47 g/mol
LogP2.89
Rot. Bonds4

About furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 51584582) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID51584582
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Namefuran-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)c3ccco3)C2)on1
InChIInChI=1S/C22H25N5O4/c1-15-12-19(31-25-15)17-13-23-22(26-7-10-29-11-8-26)24-20(17)16-4-2-6-27(14-16)21(28)18-5-3-9-30-18/h3,5,9,12-13,16H,2,4,6-8,10-11,14H2,1H3/t16-/m1/s1
InChIKeyMTYIMHFMURWHRE-MRXNPFEDSA-N
XLogP2.89
TPSA97.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 51584583
furan-2-yl-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 16670297
[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 92554492
furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 46952660
2,2-dimethyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 51584557
cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219773
tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
CID 110219988
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine
CID 110219861
cyclopropyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219984
furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 46952714
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952682
furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95802825

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 51584582) is furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)c3ccco3)C2)on1.
What is the InChIKey of furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is MTYIMHFMURWHRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-15-12-19(31-25-15)17-13-23-22(26-7-10-29-11-8-26)24-20(17)16-4-2-6-27(14-16)21(28)18-5-3-9-30-18/h3,5,9,12-13,16H,2,4,6-8,10-11,14H2,1H3/t16-/m1/s1.
What are the key properties of furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 423.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 51584582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).