N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide

C7H8N2O2 — CID 43616283

IUPACN-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)no1
InChIInChI=1S/C7H8N2O2/c1-3-6(10)8-7-4-5(2)9-11-7/h3-4H,1H2,2H3,(H,8,10)
InChIKeyGHBSYLKGNUTHRC-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.11
Rot. Bonds2

About N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide

N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide (PubChem CID 43616283) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
PubChem CID43616283
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)no1
InChIInChI=1S/C7H8N2O2/c1-3-6(10)8-7-4-5(2)9-11-7/h3-4H,1H2,2H3,(H,8,10)
InChIKeyGHBSYLKGNUTHRC-UHFFFAOYSA-N
XLogP1.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[(3-methyl-1,2-oxazol-5-yl)amino]-4-oxobut-2-enoic acid
CID 65486420
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
2-hydroxy-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 131132198
2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 3076186
N-(3-methyl-1,2-oxazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 75110444
2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 55207137
N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 82511012
N-(3-methyl-1,2-oxazol-5-yl)morpholine-4-carboxamide
CID 115603435
2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 65487181
4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 81071258

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide (CID 43616283) is N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide is C=CC(=O)Nc1cc(C)no1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide?
The InChIKey is GHBSYLKGNUTHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-3-6(10)8-7-4-5(2)9-11-7/h3-4H,1H2,2H3,(H,8,10).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide?
N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide has a molecular weight of 152.15 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide is sourced from PubChem (CID 43616283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).