N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide

C14H15N3O2 — CID 79286058

IUPACN-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C14H15N3O2/c1-2-7-15-9-14(18)17-12-5-3-11(4-6-12)13-8-16-10-19-13/h2-6,8,10,15H,1,7,9H2,(H,17,18)
InChIKeyKRBPTVUKRTTXDJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.06
Rot. Bonds6

About N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide

N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79286058) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide
PubChem CID79286058
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C14H15N3O2/c1-2-7-15-9-14(18)17-12-5-3-11(4-6-12)13-8-16-10-19-13/h2-6,8,10,15H,1,7,9H2,(H,17,18)
InChIKeyKRBPTVUKRTTXDJ-UHFFFAOYSA-N
XLogP2.06
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78923690
2-(cyclopropylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 54862582
4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
CID 63307748
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
2-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 60812605
6-amino-N-[4-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60927435
3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046910
2-(2-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 87008248
N-[4-(1,3-oxazol-5-yl)phenyl]-2-pyrazol-1-ylacetamide
CID 141085051
2-(4-aminopyrazol-1-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 61103923
2-(1-aminocyclopentyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 64684075
N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629196

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide (CID 79286058) is N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is KRBPTVUKRTTXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-7-15-9-14(18)17-12-5-3-11(4-6-12)13-8-16-10-19-13/h2-6,8,10,15H,1,7,9H2,(H,17,18).
What are the key properties of N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide?
N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 257.29 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79286058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).