3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea

C19H25N3O3 — CID 95258982

IUPAC3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1
InChIInChI=1S/C19H25N3O3/c1-4-22(12-17-9-6-10-24-17)19(23)21-16-8-5-7-15(11-16)18-20-13(2)14(3)25-18/h5,7-8,11,17H,4,6,9-10,12H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyZYHHPDZGFSNYDP-KRWDZBQOSA-N
MW343.43 g/mol
LogP3.99
Rot. Bonds5

About 3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea

3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 95258982) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID95258982
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1
InChIInChI=1S/C19H25N3O3/c1-4-22(12-17-9-6-10-24-17)19(23)21-16-8-5-7-15(11-16)18-20-13(2)14(3)25-18/h5,7-8,11,17H,4,6,9-10,12H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyZYHHPDZGFSNYDP-KRWDZBQOSA-N
XLogP3.99
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95258983
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
1-ethyl-1-[[(2S)-oxan-2-yl]methyl]-3-(3-sulfamoylphenyl)urea
CID 97271790
3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
CID 125169984
ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
CID 94489762
3-(3-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 52507120
3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide
CID 47051038
3-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077622
1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea
CID 95258509
3-(3,5-difluoro-4-methoxyphenyl)-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95258787
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
CID 47386584
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 95258982) is 3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea is CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1.
What is the InChIKey of 3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is ZYHHPDZGFSNYDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-22(12-17-9-6-10-24-17)19(23)21-16-8-5-7-15(11-16)18-20-13(2)14(3)25-18/h5,7-8,11,17H,4,6,9-10,12H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of 3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea?
3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 343.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 95258982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).