N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide

C14H16N2O2 — CID 47176259

IUPACN-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C14H16N2O2/c1-2-6-13(17)15-10-14-16-9-12(18-14)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,15,17)
InChIKeyMKEPGPFDPULZOC-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.76
Rot. Bonds5

About N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide (PubChem CID 47176259) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
PubChem CID47176259
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C14H16N2O2/c1-2-6-13(17)15-10-14-16-9-12(18-14)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,15,17)
InChIKeyMKEPGPFDPULZOC-UHFFFAOYSA-N
XLogP2.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 86980180
N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60565951
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 86980187
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974
1-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 10943870
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
2-hydroxy-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 111536667
2-methyl-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
CID 43619774
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 86980331
2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 138004669

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide?
The IUPAC name of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide (CID 47176259) is N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide.
What is the SMILES notation for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide?
The canonical SMILES for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide is CCCC(=O)NCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide?
The InChIKey is MKEPGPFDPULZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-6-13(17)15-10-14-16-9-12(18-14)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,15,17).
What are the key properties of N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide?
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide has a molecular weight of 244.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide is sourced from PubChem (CID 47176259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).