(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide

C16H23N5O2 — CID 92745762

IUPAC(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(c2nc(C)nc3onc(C)c23)C1
InChIInChI=1S/C16H23N5O2/c1-4-7-17-15(22)12-6-5-8-21(9-12)14-13-10(2)20-23-16(13)19-11(3)18-14/h12H,4-9H2,1-3H3,(H,17,22)/t12-/m0/s1
InChIKeyBGGLEDVFIWLRSQ-LBPRGKRZSA-N
MW317.39 g/mol
LogP1.98
Rot. Bonds4

About (3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide

(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide (PubChem CID 92745762) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide
PubChem CID92745762
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(c2nc(C)nc3onc(C)c23)C1
InChIInChI=1S/C16H23N5O2/c1-4-7-17-15(22)12-6-5-8-21(9-12)14-13-10(2)20-23-16(13)19-11(3)18-14/h12H,4-9H2,1-3H3,(H,17,22)/t12-/m0/s1
InChIKeyBGGLEDVFIWLRSQ-LBPRGKRZSA-N
XLogP1.98
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92745768
(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 92723534
(3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 92745818
(3S)-N-[2-(2-chlorophenyl)ethyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745844
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46282574
(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745801
(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 92745841
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745835
(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92745827
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 20929378
(3S)-N-[2-(furan-2-yl)ethyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92887871
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 20929427

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide (CID 92745762) is (3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@H]1CCCN(c2nc(C)nc3onc(C)c23)C1.
What is the InChIKey of (3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide?
The InChIKey is BGGLEDVFIWLRSQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-7-17-15(22)12-6-5-8-21(9-12)14-13-10(2)20-23-16(13)19-11(3)18-14/h12H,4-9H2,1-3H3,(H,17,22)/t12-/m0/s1.
What are the key properties of (3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide?
(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 92745762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).