2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide

C22H31N5O4 — CID 46043474

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1N1CCN(Cc2nc(C(=O)NCCN3CCOCC3)co2)CC1
InChIInChI=1S/C22H31N5O4/c1-29-20-5-3-2-4-19(20)27-10-8-26(9-11-27)16-21-24-18(17-31-21)22(28)23-6-7-25-12-14-30-15-13-25/h2-5,17H,6-16H2,1H3,(H,23,28)
InChIKeyHWTDDSOWFRQATE-UHFFFAOYSA-N
MW429.52 g/mol
LogP1.07
Rot. Bonds8

About 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 46043474) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID46043474
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1N1CCN(Cc2nc(C(=O)NCCN3CCOCC3)co2)CC1
InChIInChI=1S/C22H31N5O4/c1-29-20-5-3-2-4-19(20)27-10-8-26(9-11-27)16-21-24-18(17-31-21)22(28)23-6-7-25-12-14-30-15-13-25/h2-5,17H,6-16H2,1H3,(H,23,28)
InChIKeyHWTDDSOWFRQATE-UHFFFAOYSA-N
XLogP1.07
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide (CID 46043474) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide is COc1ccccc1N1CCN(Cc2nc(C(=O)NCCN3CCOCC3)co2)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HWTDDSOWFRQATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-29-20-5-3-2-4-19(20)27-10-8-26(9-11-27)16-21-24-18(17-31-21)22(28)23-6-7-25-12-14-30-15-13-25/h2-5,17H,6-16H2,1H3,(H,23,28).
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46043474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).