2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide

C23H22N4O3 — CID 54116384

IUPAC2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2coc([C@H](N)CCc3ccccc3)n2)nc2ccccc12
InChIInChI=1S/C23H22N4O3/c1-29-20-13-21(25-18-10-6-5-9-16(18)20)27-22(28)19-14-30-23(26-19)17(24)12-11-15-7-3-2-4-8-15/h2-10,13-14,17H,11-12,24H2,1H3,(H,25,27,28)/t17-/m1/s1
InChIKeyNKQCFZDCGNCVRM-QGZVFWFLSA-N
MW402.45 g/mol
LogP4.12
Rot. Bonds7

About 2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide

2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 54116384) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID54116384
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2coc([C@H](N)CCc3ccccc3)n2)nc2ccccc12
InChIInChI=1S/C23H22N4O3/c1-29-20-13-21(25-18-10-6-5-9-16(18)20)27-22(28)19-14-30-23(26-19)17(24)12-11-15-7-3-2-4-8-15/h2-10,13-14,17H,11-12,24H2,1H3,(H,25,27,28)/t17-/m1/s1
InChIKeyNKQCFZDCGNCVRM-QGZVFWFLSA-N
XLogP4.12
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide (CID 54116384) is 2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide is COc1cc(NC(=O)c2coc([C@H](N)CCc3ccccc3)n2)nc2ccccc12.
What is the InChIKey of 2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is NKQCFZDCGNCVRM-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-29-20-13-21(25-18-10-6-5-9-16(18)20)27-22(28)19-14-30-23(26-19)17(24)12-11-15-7-3-2-4-8-15/h2-10,13-14,17H,11-12,24H2,1H3,(H,25,27,28)/t17-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide?
2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-phenylpropyl]-N-(4-methoxyquinolin-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 54116384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).