4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

C16H18N2O3 — CID 118608952

IUPAC4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1noc(-c2ccccc2)c1C1(CCO)CCC1
InChIInChI=1S/C16H18N2O3/c17-15(20)13-12(16(9-10-19)7-4-8-16)14(21-18-13)11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-10H2,(H2,17,20)
InChIKeyJWDHMLCBYRTHJO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.24
Rot. Bonds5

About 4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 118608952) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID118608952
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1noc(-c2ccccc2)c1C1(CCO)CCC1
InChIInChI=1S/C16H18N2O3/c17-15(20)13-12(16(9-10-19)7-4-8-16)14(21-18-13)11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-10H2,(H2,17,20)
InChIKeyJWDHMLCBYRTHJO-UHFFFAOYSA-N
XLogP2.24
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 141290012
4-[3-[5-[(1R)-1,2-dihydroxyethyl]-1,3,4-thiadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118868517
2-(3-phenyl-2,1-benzoxazol-7-yl)acetamide
CID 14835400
N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 115877876
ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 57333911
2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 174598172
2-[1-(2-bromophenyl)cyclobutyl]ethanol
CID 83693368
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)butanamide
CID 123973953
5-phenyl-4-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid
CID 67455256
5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid
CID 150308140
(4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone
CID 87092127
4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 58537182

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 118608952) is 4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is NC(=O)c1noc(-c2ccccc2)c1C1(CCO)CCC1.
What is the InChIKey of 4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is JWDHMLCBYRTHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-15(20)13-12(16(9-10-19)7-4-8-16)14(21-18-13)11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-10H2,(H2,17,20).
What are the key properties of 4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118608952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).