2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide

C19H21N3O4 — CID 4242370

IUPAC2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1coc(CN(CC=C)C(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C19H21N3O4/c1-4-10-20-18(23)16-13-26-17(21-16)12-22(11-5-2)19(24)14-6-8-15(25-3)9-7-14/h4-9,13H,1-2,10-12H2,3H3,(H,20,23)
InChIKeyMXGRNLZGPMRYKA-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.43
Rot. Bonds9

About 2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide

2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide (PubChem CID 4242370) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
PubChem CID4242370
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1coc(CN(CC=C)C(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C19H21N3O4/c1-4-10-20-18(23)16-13-26-17(21-16)12-22(11-5-2)19(24)14-6-8-15(25-3)9-7-14/h4-9,13H,1-2,10-12H2,3H3,(H,20,23)
InChIKeyMXGRNLZGPMRYKA-UHFFFAOYSA-N
XLogP2.43
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(4-chlorobenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 4538772
2-[[(2-chlorobenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 5125262
2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 4584308
N-(2-methoxyethyl)-2-[[2-methoxyethyl-(4-methylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4037478
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide
CID 8895053
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56708039
2-[[(4-methylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 4221423
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(4-pentylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4690718
2-[[(4-fluorobenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 5028125
methyl 2-[[(4-ethylbenzoyl)-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4538081
2-[[(4-butylbenzoyl)-propylamino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 3902815

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide (CID 4242370) is 2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide is C=CCNC(=O)c1coc(CN(CC=C)C(=O)c2ccc(OC)cc2)n1.
What is the InChIKey of 2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The InChIKey is MXGRNLZGPMRYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-10-20-18(23)16-13-26-17(21-16)12-22(11-5-2)19(24)14-6-8-15(25-3)9-7-14/h4-9,13H,1-2,10-12H2,3H3,(H,20,23).
What are the key properties of 2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4242370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).