(3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide

C17H25N5O2 — CID 92745818

IUPAC(3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCc1noc2nc(C)nc(N3CCC[C@H](C(=O)NC(C)C)C3)c12
InChIInChI=1S/C17H25N5O2/c1-5-13-14-15(19-11(4)20-17(14)24-21-13)22-8-6-7-12(9-22)16(23)18-10(2)3/h10,12H,5-9H2,1-4H3,(H,18,23)/t12-/m0/s1
InChIKeyRDERKUGYANVNDG-LBPRGKRZSA-N
MW331.42 g/mol
LogP2.23
Rot. Bonds4

About (3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide

(3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 92745818) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID92745818
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCc1noc2nc(C)nc(N3CCC[C@H](C(=O)NC(C)C)C3)c12
InChIInChI=1S/C17H25N5O2/c1-5-13-14-15(19-11(4)20-17(14)24-21-13)22-8-6-7-12(9-22)16(23)18-10(2)3/h10,12H,5-9H2,1-4H3,(H,18,23)/t12-/m0/s1
InChIKeyRDERKUGYANVNDG-LBPRGKRZSA-N
XLogP2.23
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(4-chlorophenyl)methyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745801
(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
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92745835
(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propylpiperidine-3-carboxamide
CID 92745762
(3R)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92745827
(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
(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92745768
N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290253
(3S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 92723534
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92745865
(3R)-N-cyclopentyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866437
(3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866435

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide (CID 92745818) is (3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide is CCc1noc2nc(C)nc(N3CCC[C@H](C(=O)NC(C)C)C3)c12.
What is the InChIKey of (3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is RDERKUGYANVNDG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-13-14-15(19-11(4)20-17(14)24-21-13)22-8-6-7-12(9-22)16(23)18-10(2)3/h10,12H,5-9H2,1-4H3,(H,18,23)/t12-/m0/s1.
What are the key properties of (3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide?
(3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92745818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).