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

C23H27N5O3 — CID 33300625

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)no1
InChIInChI=1S/C23H27N5O3/c1-15(2)20-13-18(17-6-4-5-7-19(17)24-20)23(30)28-10-8-27(9-11-28)14-22(29)25-21-12-16(3)31-26-21/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,26,29)
InChIKeyYGTIWKRXXSZPBC-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.05
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 33300625) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID33300625
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)no1
InChIInChI=1S/C23H27N5O3/c1-15(2)20-13-18(17-6-4-5-7-19(17)24-20)23(30)28-10-8-27(9-11-28)14-22(29)25-21-12-16(3)31-26-21/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,26,29)
InChIKeyYGTIWKRXXSZPBC-UHFFFAOYSA-N
XLogP3.05
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300424
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 52542227
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 25485414
(2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 51206249
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]acetamide
CID 24572868
1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 55563722
2-[4-(3-bromo-1-methylindole-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55791857
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 24608511
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26995914
2-[4-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300685
(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737251

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide (CID 33300625) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is YGTIWKRXXSZPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15(2)20-13-18(17-6-4-5-7-19(17)24-20)23(30)28-10-8-27(9-11-28)14-22(29)25-21-12-16(3)31-26-21/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,26,29).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 33300625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).