1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea

C15H21N3O2S — CID 94668730

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
SMILESCC[C@@H](NC(=O)N(C)Cc1c(C)noc1C)c1cccs1
InChIInChI=1S/C15H21N3O2S/c1-5-13(14-7-6-8-21-14)16-15(19)18(4)9-12-10(2)17-20-11(12)3/h6-8,13H,5,9H2,1-4H3,(H,16,19)/t13-/m1/s1
InChIKeyULSVINKYTOLDMW-CYBMUJFWSA-N
MW307.42 g/mol
LogP3.65
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea (PubChem CID 94668730) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
PubChem CID94668730
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
SMILESCC[C@@H](NC(=O)N(C)Cc1c(C)noc1C)c1cccs1
InChIInChI=1S/C15H21N3O2S/c1-5-13(14-7-6-8-21-14)16-15(19)18(4)9-12-10(2)17-20-11(12)3/h6-8,13H,5,9H2,1-4H3,(H,16,19)/t13-/m1/s1
InChIKeyULSVINKYTOLDMW-CYBMUJFWSA-N
XLogP3.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea with MolForge

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
CID 95135788
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51084495
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea
CID 94251751
2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid
CID 55123900
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287476
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 95226046
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 78772602
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 43183580
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea
CID 96520322
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224432

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea (CID 94668730) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea is CC[C@@H](NC(=O)N(C)Cc1c(C)noc1C)c1cccs1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea?
The InChIKey is ULSVINKYTOLDMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-13(14-7-6-8-21-14)16-15(19)18(4)9-12-10(2)17-20-11(12)3/h6-8,13H,5,9H2,1-4H3,(H,16,19)/t13-/m1/s1.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea has a molecular weight of 307.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 94668730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).