N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide

C21H27N5O5 — CID 55838607

IUPACN-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(C(=O)c2cc(C)no2)CC1
InChIInChI=1S/C21H27N5O5/c1-14-4-5-17(30-3)16(10-14)23-19(27)12-22-20(28)13-25-6-8-26(9-7-25)21(29)18-11-15(2)24-31-18/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyUKODKDHLHHBKGZ-UHFFFAOYSA-N
MW429.48 g/mol
LogP0.81
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide

N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide (PubChem CID 55838607) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide
PubChem CID55838607
Molecular FormulaC21H27N5O5
Molecular Weight429.48 g/mol
Exact Mass429.20
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(C(=O)c2cc(C)no2)CC1
InChIInChI=1S/C21H27N5O5/c1-14-4-5-17(30-3)16(10-14)23-19(27)12-22-20(28)13-25-6-8-26(9-7-25)21(29)18-11-15(2)24-31-18/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyUKODKDHLHHBKGZ-UHFFFAOYSA-N
XLogP0.81
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 35130352
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 27852116
2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27156862
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 78900724
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60512408
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
2-[[2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55838143
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24673631
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide (CID 55838607) is N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(C(=O)c2cc(C)no2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide?
The InChIKey is UKODKDHLHHBKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5/c1-14-4-5-17(30-3)16(10-14)23-19(27)12-22-20(28)13-25-6-8-26(9-7-25)21(29)18-11-15(2)24-31-18/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,22,28)(H,23,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide has a molecular weight of 429.48 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 55838607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).