N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C19H22N4O4 — CID 51271019

IUPACN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCc1cc(NC(=O)CN(C)C(=O)C(C)NC(=O)/C=C/c2ccccc2)no1
InChIInChI=1S/C19H22N4O4/c1-13-11-16(22-27-13)21-18(25)12-23(3)19(26)14(2)20-17(24)10-9-15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H,20,24)(H,21,22,25)/b10-9+
InChIKeyKFRWZYPBHQOGPU-MDZDMXLPSA-N
MW370.41 g/mol
LogP1.60
Rot. Bonds7

About N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 51271019) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID51271019
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCc1cc(NC(=O)CN(C)C(=O)C(C)NC(=O)/C=C/c2ccccc2)no1
InChIInChI=1S/C19H22N4O4/c1-13-11-16(22-27-13)21-18(25)12-23(3)19(26)14(2)20-17(24)10-9-15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H,20,24)(H,21,22,25)/b10-9+
InChIKeyKFRWZYPBHQOGPU-MDZDMXLPSA-N
XLogP1.60
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]-3-phenylprop-2-enamide
CID 4108258
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 54996242
(E)-3-(4-acetamidophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]prop-2-enamide
CID 51334153
2-amino-N,4-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 60947443
(Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 92955062
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288
N,N-dimethyl-4-[(E)-3-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]benzamide
CID 110427027
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 4174798
2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride
CID 119697260
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 120666888
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 93372139

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 51271019) is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is Cc1cc(NC(=O)CN(C)C(=O)C(C)NC(=O)/C=C/c2ccccc2)no1.
What is the InChIKey of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is KFRWZYPBHQOGPU-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-13-11-16(22-27-13)21-18(25)12-23(3)19(26)14(2)20-17(24)10-9-15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H,20,24)(H,21,22,25)/b10-9+.
What are the key properties of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 370.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 51271019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).