N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide

C16H21N3O2 — CID 78811482

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)on1
InChIInChI=1S/C16H21N3O2/c1-13-11-15(21-17-13)16(20)19(10-9-18(2)3)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3
InChIKeyAYWKLHSOOGZGLG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.19
Rot. Bonds6

About N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide

N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 78811482) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID78811482
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)on1
InChIInChI=1S/C16H21N3O2/c1-13-11-15(21-17-13)16(20)19(10-9-18(2)3)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3
InChIKeyAYWKLHSOOGZGLG-UHFFFAOYSA-N
XLogP2.19
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 78811228
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N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 78810477
N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
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N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide
CID 59483544
4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63101974
N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 53195201
N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 126989856
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94824957

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 78811482) is N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)on1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is AYWKLHSOOGZGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-11-15(21-17-13)16(20)19(10-9-18(2)3)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 78811482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).