2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide

C20H26N4O5 — CID 42771567

IUPAC2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide
SMILESCOc1ccc(CC(=O)N(CCN2CCOCC2)CC(=O)Nc2ccon2)cc1
InChIInChI=1S/C20H26N4O5/c1-27-17-4-2-16(3-5-17)14-20(26)24(8-7-23-9-12-28-13-10-23)15-19(25)21-18-6-11-29-22-18/h2-6,11H,7-10,12-15H2,1H3,(H,21,22,25)
InChIKeyKDLNGEDCEDCFHS-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.03
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide

2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide (PubChem CID 42771567) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide
PubChem CID42771567
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide
SMILESCOc1ccc(CC(=O)N(CCN2CCOCC2)CC(=O)Nc2ccon2)cc1
InChIInChI=1S/C20H26N4O5/c1-27-17-4-2-16(3-5-17)14-20(26)24(8-7-23-9-12-28-13-10-23)15-19(25)21-18-6-11-29-22-18/h2-6,11H,7-10,12-15H2,1H3,(H,21,22,25)
InChIKeyKDLNGEDCEDCFHS-UHFFFAOYSA-N
XLogP1.03
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 47798791
N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 3569448
2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 814540
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5038488
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 4582164
2-(4-methoxyphenyl)-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]acetamide
CID 113040037
N-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 814456
4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42770301
N-(3-morpholin-4-ylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 3287314
3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 4614213
N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149986
2-(4-methoxyphenyl)-N-(morpholin-4-ylmethylcarbamoyl)acetamide
CID 134110294

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide (CID 42771567) is 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide is COc1ccc(CC(=O)N(CCN2CCOCC2)CC(=O)Nc2ccon2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide?
The InChIKey is KDLNGEDCEDCFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-27-17-4-2-16(3-5-17)14-20(26)24(8-7-23-9-12-28-13-10-23)15-19(25)21-18-6-11-29-22-18/h2-6,11H,7-10,12-15H2,1H3,(H,21,22,25).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide?
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 42771567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).