5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

C16H17N3O3 — CID 167898515

IUPAC5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)c1coc(NC(=O)C2=NOC(c3ccccc3)C2)n1
InChIInChI=1S/C16H17N3O3/c1-10(2)13-9-21-16(17-13)18-15(20)12-8-14(22-19-12)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,17,18,20)
InChIKeyMBXDNPDUVPPGPY-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.25
Rot. Bonds4

About 5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 167898515) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID167898515
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)c1coc(NC(=O)C2=NOC(c3ccccc3)C2)n1
InChIInChI=1S/C16H17N3O3/c1-10(2)13-9-21-16(17-13)18-15(20)12-8-14(22-19-12)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,17,18,20)
InChIKeyMBXDNPDUVPPGPY-UHFFFAOYSA-N
XLogP3.25
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 167898515) is 5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide is CC(C)c1coc(NC(=O)C2=NOC(c3ccccc3)C2)n1.
What is the InChIKey of 5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is MBXDNPDUVPPGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(2)13-9-21-16(17-13)18-15(20)12-8-14(22-19-12)11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,17,18,20).
What are the key properties of 5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167898515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).