N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide

C11H19N3O3 — CID 118698826

IUPACN-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)NCCCN(C)C)noc1CO
InChIInChI=1S/C11H19N3O3/c1-8-9(7-15)17-13-10(8)11(16)12-5-4-6-14(2)3/h15H,4-7H2,1-3H3,(H,12,16)
InChIKeyJMCJWZSUGNYITM-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.16
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide

N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118698826) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID118698826
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)NCCCN(C)C)noc1CO
InChIInChI=1S/C11H19N3O3/c1-8-9(7-15)17-13-10(8)11(16)12-5-4-6-14(2)3/h15H,4-7H2,1-3H3,(H,12,16)
InChIKeyJMCJWZSUGNYITM-UHFFFAOYSA-N
XLogP0.16
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698825
N-[3-(dimethylamino)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691640
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
N-[3-(dimethylamino)propyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794339
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
CID 110705198
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 4207479
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652
N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
CID 110474763
N-[3-(dimethylamino)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78781057
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide (CID 118698826) is N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide is Cc1c(C(=O)NCCCN(C)C)noc1CO.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JMCJWZSUGNYITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8-9(7-15)17-13-10(8)11(16)12-5-4-6-14(2)3/h15H,4-7H2,1-3H3,(H,12,16).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide?
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118698826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).