N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide

C19H23N5O3S — CID 30665563

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3nc(-c4cccs4)oc3C)CC2)no1
InChIInChI=1S/C19H23N5O3S/c1-13-10-17(22-27-13)21-18(25)12-24-7-5-23(6-8-24)11-15-14(2)26-19(20-15)16-4-3-9-28-16/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,21,22,25)
InChIKeyZKLQSWKHIVADKO-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.76
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 30665563) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID30665563
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3nc(-c4cccs4)oc3C)CC2)no1
InChIInChI=1S/C19H23N5O3S/c1-13-10-17(22-27-13)21-18(25)12-24-7-5-23(6-8-24)11-15-14(2)26-19(20-15)16-4-3-9-28-16/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,21,22,25)
InChIKeyZKLQSWKHIVADKO-UHFFFAOYSA-N
XLogP2.76
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-4-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 35250688
(3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 35230871
N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928180
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
7-methyl-4-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]chromen-2-one
CID 17250966
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514320
2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 37047635
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 55515759
3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 131899226

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide (CID 30665563) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(Cc3nc(-c4cccs4)oc3C)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is ZKLQSWKHIVADKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-13-10-17(22-27-13)21-18(25)12-24-7-5-23(6-8-24)11-15-14(2)26-19(20-15)16-4-3-9-28-16/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,21,22,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30665563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).