tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate

C22H31N5O4 — CID 110219988

IUPACtert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2C2CCCN(C(=O)OC(C)(C)C)C2)on1
InChIInChI=1S/C22H31N5O4/c1-15-12-18(31-25-15)17-13-23-20(26-8-10-29-11-9-26)24-19(17)16-6-5-7-27(14-16)21(28)30-22(2,3)4/h12-13,16H,5-11,14H2,1-4H3
InChIKeyLIPWMBFNHJHRKF-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.39
Rot. Bonds3

About tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate

tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate (PubChem CID 110219988) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
PubChem CID110219988
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Nametert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2C2CCCN(C(=O)OC(C)(C)C)C2)on1
InChIInChI=1S/C22H31N5O4/c1-15-12-18(31-25-15)17-13-23-20(26-8-10-29-11-9-26)24-19(17)16-6-5-7-27(14-16)21(28)30-22(2,3)4/h12-13,16H,5-11,14H2,1-4H3
InChIKeyLIPWMBFNHJHRKF-UHFFFAOYSA-N
XLogP3.39
TPSA93.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

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
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
[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 92554492
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine
CID 110219861
tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 125434626
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952682
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
CID 45488393
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92554578
5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 95803023
tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 143514654
1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110225718

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate (CID 110219988) is tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate is Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCCN(C(=O)OC(C)(C)C)C2)on1.
What is the InChIKey of tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate?
The InChIKey is LIPWMBFNHJHRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-15-12-18(31-25-15)17-13-23-20(26-8-10-29-11-9-26)24-19(17)16-6-5-7-27(14-16)21(28)30-22(2,3)4/h12-13,16H,5-11,14H2,1-4H3.
What are the key properties of tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate?
tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate has a molecular weight of 429.52 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 110219988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).