N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide

C16H20N2O3 — CID 118608951

IUPACN-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide
SMILESCCC1(c2ccccc2)ONC(C(=O)NC2CCC2)=C1O
InChIInChI=1S/C16H20N2O3/c1-2-16(11-7-4-3-5-8-11)14(19)13(18-21-16)15(20)17-12-9-6-10-12/h3-5,7-8,12,18-19H,2,6,9-10H2,1H3,(H,17,20)
InChIKeyDYRYSRZTXQTXIF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.27
Rot. Bonds4

About N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide

N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide (PubChem CID 118608951) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide
PubChem CID118608951
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide
SMILESCCC1(c2ccccc2)ONC(C(=O)NC2CCC2)=C1O
InChIInChI=1S/C16H20N2O3/c1-2-16(11-7-4-3-5-8-11)14(19)13(18-21-16)15(20)17-12-9-6-10-12/h3-5,7-8,12,18-19H,2,6,9-10H2,1H3,(H,17,20)
InChIKeyDYRYSRZTXQTXIF-UHFFFAOYSA-N
XLogP2.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 126649216
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CID 62416564
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
N-cyclopentyl-2,6-diethoxybenzamide
CID 118034872
(2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
CID 33166500
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CID 142519787
5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide
CID 136636420
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109249620
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
4-benzamido-N-cyclopentylbenzamide
CID 1262350
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide (CID 118608951) is N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide is CCC1(c2ccccc2)ONC(C(=O)NC2CCC2)=C1O.
What is the InChIKey of N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide?
The InChIKey is DYRYSRZTXQTXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-16(11-7-4-3-5-8-11)14(19)13(18-21-16)15(20)17-12-9-6-10-12/h3-5,7-8,12,18-19H,2,6,9-10H2,1H3,(H,17,20).
What are the key properties of N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide?
N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118608951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).