N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C14H16N2O3 — CID 5307591

IUPACN-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccccc2O)on1
InChIInChI=1S/C14H16N2O3/c1-3-9(2)15-14(18)11-8-13(19-16-11)10-6-4-5-7-12(10)17/h4-9,17H,3H2,1-2H3,(H,15,18)
InChIKeyYONUVPIHNZOGCZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.58
Rot. Bonds4

About N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide

N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 5307591) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID5307591
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccccc2O)on1
InChIInChI=1S/C14H16N2O3/c1-3-9(2)15-14(18)11-8-13(19-16-11)10-6-4-5-7-12(10)17/h4-9,17H,3H2,1-2H3,(H,15,18)
InChIKeyYONUVPIHNZOGCZ-UHFFFAOYSA-N
XLogP2.58
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 5307591) is N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide is CCC(C)NC(=O)c1cc(-c2ccccc2O)on1.
What is the InChIKey of N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YONUVPIHNZOGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-9(2)15-14(18)11-8-13(19-16-11)10-6-4-5-7-12(10)17/h4-9,17H,3H2,1-2H3,(H,15,18).
What are the key properties of N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).