N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C18H23N5O3 — CID 124953124

IUPACN-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2cc(C(C)C)no2)n1
InChIInChI=1S/C18H23N5O3/c1-11(2)14-7-17(26-22-14)18(25)20-9-13-8-19-10-15(21-13)16-5-4-6-23(16)12(3)24/h7-8,10-11,16H,4-6,9H2,1-3H3,(H,20,25)/t16-/m0/s1
InChIKeyDTJMRQXSBSETKP-INIZCTEOSA-N
MW357.41 g/mol
LogP2.20
Rot. Bonds5

About N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 124953124) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID124953124
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2cc(C(C)C)no2)n1
InChIInChI=1S/C18H23N5O3/c1-11(2)14-7-17(26-22-14)18(25)20-9-13-8-19-10-15(21-13)16-5-4-6-23(16)12(3)24/h7-8,10-11,16H,4-6,9H2,1-3H3,(H,20,25)/t16-/m0/s1
InChIKeyDTJMRQXSBSETKP-INIZCTEOSA-N
XLogP2.20
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094829
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 125024680
N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 124998084
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide
CID 124966706
4-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methylamino]-4-oxobutanoic acid
CID 175655396
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 124979320
N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide
CID 110094688
N-[[6-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110268251
N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094831
N-[[6-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094921
N-[[6-[1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110112276
N-[[6-[(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125027050

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 124953124) is N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2cc(C(C)C)no2)n1.
What is the InChIKey of N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is DTJMRQXSBSETKP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11(2)14-7-17(26-22-14)18(25)20-9-13-8-19-10-15(21-13)16-5-4-6-23(16)12(3)24/h7-8,10-11,16H,4-6,9H2,1-3H3,(H,20,25)/t16-/m0/s1.
What are the key properties of N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124953124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).