4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

C19H26N4O3 — CID 46477484

IUPAC4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)N(C)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C19H26N4O3/c1-5-23(6-2)12-15-7-9-16(10-8-15)19(25)22(4)13-18(24)20-17-11-14(3)26-21-17/h7-11H,5-6,12-13H2,1-4H3,(H,20,21,24)
InChIKeyMNPWXPURAQLIBW-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.54
Rot. Bonds8

About 4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 46477484) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID46477484
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)N(C)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C19H26N4O3/c1-5-23(6-2)12-15-7-9-16(10-8-15)19(25)22(4)13-18(24)20-17-11-14(3)26-21-17/h7-11H,5-6,12-13H2,1-4H3,(H,20,21,24)
InChIKeyMNPWXPURAQLIBW-UHFFFAOYSA-N
XLogP2.54
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288
N-butan-2-yl-4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3559982
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 60947012
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate
CID 49435954
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46477516
2-[dimethylcarbamoyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814446
3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 46487182
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2438629
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 46477513
3-(methanesulfonamido)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 46469975
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (CID 46477484) is 4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is CCN(CC)Cc1ccc(C(=O)N(C)CC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is MNPWXPURAQLIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-5-23(6-2)12-15-7-9-16(10-8-15)19(25)22(4)13-18(24)20-17-11-14(3)26-21-17/h7-11H,5-6,12-13H2,1-4H3,(H,20,21,24).
What are the key properties of 4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46477484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).