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

C17H20N2O3 — CID 110671382

IUPACN-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide
SMILESCc1nc(-c2ccccc2)c(CCNC(=O)C2CCCO2)o1
InChIInChI=1S/C17H20N2O3/c1-12-19-16(13-6-3-2-4-7-13)14(22-12)9-10-18-17(20)15-8-5-11-21-15/h2-4,6-7,15H,5,8-11H2,1H3,(H,18,20)
InChIKeyAHDJHDPYWZPTPC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.49
Rot. Bonds5

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

N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide (PubChem CID 110671382) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide
PubChem CID110671382
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide
SMILESCc1nc(-c2ccccc2)c(CCNC(=O)C2CCCO2)o1
InChIInChI=1S/C17H20N2O3/c1-12-19-16(13-6-3-2-4-7-13)14(22-12)9-10-18-17(20)15-8-5-11-21-15/h2-4,6-7,15H,5,8-11H2,1H3,(H,18,20)
InChIKeyAHDJHDPYWZPTPC-UHFFFAOYSA-N
XLogP2.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]oxolane-2-carboxamide
CID 110320373
3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671393
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
methyl 2-[2-[2-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975447
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030588
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110646239
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide (CID 110671382) is N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide is Cc1nc(-c2ccccc2)c(CCNC(=O)C2CCCO2)o1.
What is the InChIKey of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is AHDJHDPYWZPTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-19-16(13-6-3-2-4-7-13)14(22-12)9-10-18-17(20)15-8-5-11-21-15/h2-4,6-7,15H,5,8-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide?
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110671382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).