N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C10H17N3O3 — CID 104593540

IUPACN-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCNCC(C)O
InChIInChI=1S/C10H17N3O3/c1-7(14)5-11-3-4-12-10(15)9-6-13-16-8(9)2/h6-7,11,14H,3-5H2,1-2H3,(H,12,15)
InChIKeyWJTBANQVGBEUTR-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.32
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 104593540) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID104593540
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCNCC(C)O
InChIInChI=1S/C10H17N3O3/c1-7(14)5-11-3-4-12-10(15)9-6-13-16-8(9)2/h6-7,11,14H,3-5H2,1-2H3,(H,12,15)
InChIKeyWJTBANQVGBEUTR-UHFFFAOYSA-N
XLogP-0.32
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62657278
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
CID 104593577
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 1477707
N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 115306447
N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114297508
N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 104593590
5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492048
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563
N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43501123

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 104593540) is N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCCNCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is WJTBANQVGBEUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(14)5-11-3-4-12-10(15)9-6-13-16-8(9)2/h6-7,11,14H,3-5H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 104593540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).