2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide

C17H19N3O3 — CID 71800279

IUPAC2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(NC(=O)C2CCC2)n1)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-11(12-6-3-2-4-7-12)18-16(22)14-10-23-17(19-14)20-15(21)13-8-5-9-13/h2-4,6-7,10-11,13H,5,8-9H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyCWVZXBBMQYURAN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.90
Rot. Bonds5

About 2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide

2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 71800279) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
PubChem CID71800279
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(NC(=O)C2CCC2)n1)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-11(12-6-3-2-4-7-12)18-16(22)14-10-23-17(19-14)20-15(21)13-8-5-9-13/h2-4,6-7,10-11,13H,5,8-9H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyCWVZXBBMQYURAN-UHFFFAOYSA-N
XLogP2.90
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide (CID 71800279) is 2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide is CC(NC(=O)c1coc(NC(=O)C2CCC2)n1)c1ccccc1.
What is the InChIKey of 2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CWVZXBBMQYURAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11(12-6-3-2-4-7-12)18-16(22)14-10-23-17(19-14)20-15(21)13-8-5-9-13/h2-4,6-7,10-11,13H,5,8-9H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide?
2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonylamino)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71800279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).