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

C22H25N5O3S — CID 92554492

IUPAC[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)c3cccs3)C2)on1
InChIInChI=1S/C22H25N5O3S/c1-15-12-18(30-25-15)17-13-23-22(26-7-9-29-10-8-26)24-20(17)16-4-2-6-27(14-16)21(28)19-5-3-11-31-19/h3,5,11-13,16H,2,4,6-10,14H2,1H3/t16-/m1/s1
InChIKeyFBPVEPYXBZEZFK-MRXNPFEDSA-N
MW439.54 g/mol
LogP3.36
Rot. Bonds4

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

[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 92554492) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is [(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID92554492
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)c3cccs3)C2)on1
InChIInChI=1S/C22H25N5O3S/c1-15-12-18(30-25-15)17-13-23-22(26-7-9-29-10-8-26)24-20(17)16-4-2-6-27(14-16)21(28)19-5-3-11-31-19/h3,5,11-13,16H,2,4,6-10,14H2,1H3/t16-/m1/s1
InChIKeyFBPVEPYXBZEZFK-MRXNPFEDSA-N
XLogP3.36
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

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
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
cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219773
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
tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
CID 110219988
cyclopropyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219984
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine
CID 110219861
[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-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 16670297
(4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92556400
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
(3-methoxyphenyl)-[(3S)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 51584575

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 92554492) is [(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone is Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)c3cccs3)C2)on1.
What is the InChIKey of [(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is FBPVEPYXBZEZFK-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-15-12-18(30-25-15)17-13-23-22(26-7-9-29-10-8-26)24-20(17)16-4-2-6-27(14-16)21(28)19-5-3-11-31-19/h3,5,11-13,16H,2,4,6-10,14H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 439.54 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 92554492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).