(2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

C18H23N5O3 — CID 95708878

IUPAC(2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CCNC[C@H]2C(=O)NCc2ccncc2)o1
InChIInChI=1S/C18H23N5O3/c1-3-15-22-12(2)16(26-15)18(25)23-9-8-20-11-14(23)17(24)21-10-13-4-6-19-7-5-13/h4-7,14,20H,3,8-11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyITKZCKHPMLWOQH-AWEZNQCLSA-N
MW357.41 g/mol
LogP0.67
Rot. Bonds5

About (2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

(2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (PubChem CID 95708878) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
PubChem CID95708878
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CCNC[C@H]2C(=O)NCc2ccncc2)o1
InChIInChI=1S/C18H23N5O3/c1-3-15-22-12(2)16(26-15)18(25)23-9-8-20-11-14(23)17(24)21-10-13-4-6-19-7-5-13/h4-7,14,20H,3,8-11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyITKZCKHPMLWOQH-AWEZNQCLSA-N
XLogP0.67
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide with MolForge

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Related Compounds

(2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95727694
1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 56894686
N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
CID 66334816
(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95724791
N-ethyl-1-(3-methoxypyridine-4-carbonyl)piperazine-2-carboxamide
CID 105064126
1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131934712
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid
CID 118137995
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 70704985
tert-butyl 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 22557197
(2S)-N-(pyridin-3-ylmethyl)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperazine-2-carboxamide
CID 95707917
(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 95717707

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (CID 95708878) is (2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is CCc1nc(C)c(C(=O)N2CCNC[C@H]2C(=O)NCc2ccncc2)o1.
What is the InChIKey of (2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The InChIKey is ITKZCKHPMLWOQH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-15-22-12(2)16(26-15)18(25)23-9-8-20-11-14(23)17(24)21-10-13-4-6-19-7-5-13/h4-7,14,20H,3,8-11H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
(2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 95708878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).