N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide

C16H17ClN2O3 — CID 110314737

IUPACN-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1cc(-c2ccc(Cl)cc2)on1)C1CCCO1
InChIInChI=1S/C16H17ClN2O3/c17-12-5-3-11(4-6-12)15-10-13(19-22-15)7-8-18-16(20)14-2-1-9-21-14/h3-6,10,14H,1-2,7-9H2,(H,18,20)
InChIKeyFDUDRWKLMBCKMH-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.83
Rot. Bonds5

About N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide

N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide (PubChem CID 110314737) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide
PubChem CID110314737
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1cc(-c2ccc(Cl)cc2)on1)C1CCCO1
InChIInChI=1S/C16H17ClN2O3/c17-12-5-3-11(4-6-12)15-10-13(19-22-15)7-8-18-16(20)14-2-1-9-21-14/h3-6,10,14H,1-2,7-9H2,(H,18,20)
InChIKeyFDUDRWKLMBCKMH-UHFFFAOYSA-N
XLogP2.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
CID 47067239
N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide
CID 110789726
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
(2R)-N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]oxolane-2-carboxamide
CID 92567594
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 113090708
(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide
CID 95100497
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110646239
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine
CID 110634027
5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43110787
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 113059887
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16866721
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide (CID 110314737) is N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide is O=C(NCCc1cc(-c2ccc(Cl)cc2)on1)C1CCCO1.
What is the InChIKey of N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is FDUDRWKLMBCKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-12-5-3-11(4-6-12)15-10-13(19-22-15)7-8-18-16(20)14-2-1-9-21-14/h3-6,10,14H,1-2,7-9H2,(H,18,20).
What are the key properties of N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide?
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110314737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).