3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid

C19H23N3O5 — CID 75368391

IUPAC3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)NC2(c3ccccc3)CCOCC2)c1C(=O)O
InChIInChI=1S/C19H23N3O5/c1-12-15(17(23)24)16(27-22-12)13(2)20-18(25)21-19(8-10-26-11-9-19)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3,(H,23,24)(H2,20,21,25)/t13-/m1/s1
InChIKeyXFEHQOWZILLNPX-CYBMUJFWSA-N
MW373.41 g/mol
LogP2.75
Rot. Bonds5

About 3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid

3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 75368391) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid
PubChem CID75368391
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)NC2(c3ccccc3)CCOCC2)c1C(=O)O
InChIInChI=1S/C19H23N3O5/c1-12-15(17(23)24)16(27-22-12)13(2)20-18(25)21-19(8-10-26-11-9-19)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3,(H,23,24)(H2,20,21,25)/t13-/m1/s1
InChIKeyXFEHQOWZILLNPX-CYBMUJFWSA-N
XLogP2.75
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid (CID 75368391) is 3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid is Cc1noc([C@@H](C)NC(=O)NC2(c3ccccc3)CCOCC2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is XFEHQOWZILLNPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12-15(17(23)24)16(27-22-12)13(2)20-18(25)21-19(8-10-26-11-9-19)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3,(H,23,24)(H2,20,21,25)/t13-/m1/s1.
What are the key properties of 3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid?
3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1R)-1-[(4-phenyloxan-4-yl)carbamoylamino]ethyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).