4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide

C13H13ClN2O2 — CID 63307748

IUPAC4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H13ClN2O2/c14-7-1-2-13(17)16-11-5-3-10(4-6-11)12-8-15-9-18-12/h3-6,8-9H,1-2,7H2,(H,16,17)
InChIKeyMYTLRURNSOEMAD-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.30
Rot. Bonds5

About 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide

4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide (PubChem CID 63307748) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
PubChem CID63307748
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H13ClN2O2/c14-7-1-2-13(17)16-11-5-3-10(4-6-11)12-8-15-9-18-12/h3-6,8-9H,1-2,7H2,(H,16,17)
InChIKeyMYTLRURNSOEMAD-UHFFFAOYSA-N
XLogP3.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[4-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60927435
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046910
2-(tert-butylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78923690
2-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 60812605
5-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 20630720
N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629196
N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79286058
2-(cyclopropylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 54862582
3-(2-ethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87008242
4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 55206350
2-(1-aminocyclopentyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 64684075

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide (CID 63307748) is 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide is O=C(CCCCl)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide?
The InChIKey is MYTLRURNSOEMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-7-1-2-13(17)16-11-5-3-10(4-6-11)12-8-15-9-18-12/h3-6,8-9H,1-2,7H2,(H,16,17).
What are the key properties of 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide?
4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide has a molecular weight of 264.71 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 63307748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).