3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide

C16H21N5O2 — CID 42556906

IUPAC3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H21N5O2/c1-3-13-14(11(2)23-20-13)15(22)19-12-6-4-9-21(10-12)16-17-7-5-8-18-16/h5,7-8,12H,3-4,6,9-10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyBYARFUYKPNRUMO-GFCCVEGCSA-N
MW315.38 g/mol
LogP1.73
Rot. Bonds4

About 3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 42556906) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID42556906
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H21N5O2/c1-3-13-14(11(2)23-20-13)15(22)19-12-6-4-9-21(10-12)16-17-7-5-8-18-16/h5,7-8,12H,3-4,6,9-10H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyBYARFUYKPNRUMO-GFCCVEGCSA-N
XLogP1.73
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 124573326
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
6-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 95711974
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 95717925
5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
CID 125178549
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64813133
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812677

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide (CID 42556906) is 3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of 3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is BYARFUYKPNRUMO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-13-14(11(2)23-20-13)15(22)19-12-6-4-9-21(10-12)16-17-7-5-8-18-16/h5,7-8,12H,3-4,6,9-10H2,1-2H3,(H,19,22)/t12-/m1/s1.
What are the key properties of 3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 42556906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).