4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide

C30H35N7O5 — CID 70654746

IUPAC4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCC(C)c1cc(NC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2)no1
InChIInChI=1S/C30H35N7O5/c1-20(2)26-18-28(36-42-26)33-30(39)31-19-21-3-5-22(6-4-21)25-17-27(35-34-25)32-29(38)23-7-9-24(10-8-23)41-16-13-37-11-14-40-15-12-37/h3-10,17-18,20H,11-16,19H2,1-2H3,(H2,31,33,36,39)(H2,32,34,35,38)
InChIKeyQRSXOOCESMWJJC-UHFFFAOYSA-N
MW573.65 g/mol
LogP4.47
Rot. Bonds11

About 4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide

4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide (PubChem CID 70654746) has the molecular formula C30H35N7O5 and a molecular weight of 573.65 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide
PubChem CID70654746
Molecular FormulaC30H35N7O5
Molecular Weight573.65 g/mol
Exact Mass573.27
IUPAC Name4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCC(C)c1cc(NC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2)no1
InChIInChI=1S/C30H35N7O5/c1-20(2)26-18-28(36-42-26)33-30(39)31-19-21-3-5-22(6-4-21)25-17-27(35-34-25)32-29(38)23-7-9-24(10-8-23)41-16-13-37-11-14-40-15-12-37/h3-10,17-18,20H,11-16,19H2,1-2H3,(H2,31,33,36,39)(H2,32,34,35,38)
InChIKeyQRSXOOCESMWJJC-UHFFFAOYSA-N
XLogP4.47
TPSA146.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.65
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide (CID 70654746) is 4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide is CC(C)c1cc(NC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2)no1.
What is the InChIKey of 4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
The InChIKey is QRSXOOCESMWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O5/c1-20(2)26-18-28(36-42-26)33-30(39)31-19-21-3-5-22(6-4-21)25-17-27(35-34-25)32-29(38)23-7-9-24(10-8-23)41-16-13-37-11-14-40-15-12-37/h3-10,17-18,20H,11-16,19H2,1-2H3,(H2,31,33,36,39)(H2,32,34,35,38).
What are the key properties of 4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide?
4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide has a molecular weight of 573.65 g/mol, XLogP of 4.47, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethoxy)-N-[5-[4-[[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 70654746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).