5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide

C39H39N5O7 — CID 145176101

IUPAC5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide
SMILESCOc1ccc(N(C)C(=O)C(Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C39H39N5O7/c1-43(28-15-19-30(49-3)20-16-28)38(47)33(23-26-11-7-5-8-12-26)40-36(45)32-25-35(51-42-32)37(46)41-34(24-27-13-9-6-10-14-27)39(48)44(2)29-17-21-31(50-4)22-18-29/h5-22,25,33-34H,23-24H2,1-4H3,(H,40,45)(H,41,46)/t33-,34?/m0/s1
InChIKeyQWFWXNVXSJTHPC-CDRRMRQFSA-N
MW689.77 g/mol
LogP4.70
Rot. Bonds14

About 5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide

5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide (PubChem CID 145176101) has the molecular formula C39H39N5O7 and a molecular weight of 689.77 g/mol. Its IUPAC name is 5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide
PubChem CID145176101
Molecular FormulaC39H39N5O7
Molecular Weight689.77 g/mol
Exact Mass689.28
IUPAC Name5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide
SMILESCOc1ccc(N(C)C(=O)C(Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C39H39N5O7/c1-43(28-15-19-30(49-3)20-16-28)38(47)33(23-26-11-7-5-8-12-26)40-36(45)32-25-35(51-42-32)37(46)41-34(24-27-13-9-6-10-14-27)39(48)44(2)29-17-21-31(50-4)22-18-29/h5-22,25,33-34H,23-24H2,1-4H3,(H,40,45)(H,41,46)/t33-,34?/m0/s1
InChIKeyQWFWXNVXSJTHPC-CDRRMRQFSA-N
XLogP4.70
TPSA143.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500689.77
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide (CID 145176101) is 5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide is COc1ccc(N(C)C(=O)C(Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c3ccc(OC)cc3)no2)cc1.
What is the InChIKey of 5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide?
The InChIKey is QWFWXNVXSJTHPC-CDRRMRQFSA-N. The full InChI is InChI=1S/C39H39N5O7/c1-43(28-15-19-30(49-3)20-16-28)38(47)33(23-26-11-7-5-8-12-26)40-36(45)32-25-35(51-42-32)37(46)41-34(24-27-13-9-6-10-14-27)39(48)44(2)29-17-21-31(50-4)22-18-29/h5-22,25,33-34H,23-24H2,1-4H3,(H,40,45)(H,41,46)/t33-,34?/m0/s1.
What are the key properties of 5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide?
5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide has a molecular weight of 689.77 g/mol, XLogP of 4.70, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide is sourced from PubChem (CID 145176101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).