N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide

C21H26N4O3 — CID 4174798

IUPACN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
SMILESCc1cc(NC(=O)CN(CCN2CCCC2)C(=O)C=Cc2ccccc2)no1
InChIInChI=1S/C21H26N4O3/c1-17-15-19(23-28-17)22-20(26)16-25(14-13-24-11-5-6-12-24)21(27)10-9-18-7-3-2-4-8-18/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,22,23,26)
InChIKeyFEBQHCGISFMLHV-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.56
Rot. Bonds8

About N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide (PubChem CID 4174798) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
PubChem CID4174798
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
SMILESCc1cc(NC(=O)CN(CCN2CCCC2)C(=O)C=Cc2ccccc2)no1
InChIInChI=1S/C21H26N4O3/c1-17-15-19(23-28-17)22-20(26)16-25(14-13-24-11-5-6-12-24)21(27)10-9-18-7-3-2-4-8-18/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,22,23,26)
InChIKeyFEBQHCGISFMLHV-UHFFFAOYSA-N
XLogP2.56
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2,2-diphenylacetamide
CID 4689722
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 4142043
4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42770301
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51271019
(E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide
CID 51334153
N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]-3-phenylprop-2-enamide
CID 4108258
2-[(2,3-dimethylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7297305
2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3668536
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 53499685
2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42770338
3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3462860

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
The IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide (CID 4174798) is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
The canonical SMILES for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide is Cc1cc(NC(=O)CN(CCN2CCCC2)C(=O)C=Cc2ccccc2)no1.
What is the InChIKey of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
The InChIKey is FEBQHCGISFMLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-17-15-19(23-28-17)22-20(26)16-25(14-13-24-11-5-6-12-24)21(27)10-9-18-7-3-2-4-8-18/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,22,23,26).
What are the key properties of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide has a molecular weight of 382.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 4174798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).