N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide

C20H25N5O4S — CID 24572889

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)no1
InChIInChI=1S/C20H25N5O4S/c1-14-12-17(22-29-14)21-18(26)13-23-7-9-24(10-8-23)19(27)15-4-2-6-25(15)20(28)16-5-3-11-30-16/h3,5,11-12,15H,2,4,6-10,13H2,1H3,(H,21,22,26)/t15-/m0/s1
InChIKeyKSFCYNFKEUTAJA-HNNXBMFYSA-N
MW431.52 g/mol
LogP1.43
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide (PubChem CID 24572889) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
PubChem CID24572889
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)no1
InChIInChI=1S/C20H25N5O4S/c1-14-12-17(22-29-14)21-18(26)13-23-7-9-24(10-8-23)19(27)15-4-2-6-25(15)20(28)16-5-3-11-30-16/h3,5,11-12,15H,2,4,6-10,13H2,1H3,(H,21,22,26)/t15-/m0/s1
InChIKeyKSFCYNFKEUTAJA-HNNXBMFYSA-N
XLogP1.43
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 24658136
2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42887936
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60579845
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 55938334
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697615
1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
CID 55936595
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 51148177
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 86890935
[4-(methylaminomethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119543284

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide (CID 24572889) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is KSFCYNFKEUTAJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-14-12-17(22-29-14)21-18(26)13-23-7-9-24(10-8-23)19(27)15-4-2-6-25(15)20(28)16-5-3-11-30-16/h3,5,11-12,15H,2,4,6-10,13H2,1H3,(H,21,22,26)/t15-/m0/s1.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 431.52 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24572889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).