1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea

C22H25N3O3 — CID 97436331

IUPAC1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea
SMILESCN(CCC[C@H]1CCCO1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H25N3O3/c1-25(13-5-9-18-10-6-14-27-18)22(26)23-17-11-12-20-19(15-17)24-21(28-20)16-7-3-2-4-8-16/h2-4,7-8,11-12,15,18H,5-6,9-10,13-14H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyUZVQGIXEGXFOET-SFHVURJKSA-N
MW379.46 g/mol
LogP4.92
Rot. Bonds6

About 1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea

1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea (PubChem CID 97436331) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea
PubChem CID97436331
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea
SMILESCN(CCC[C@H]1CCCO1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H25N3O3/c1-25(13-5-9-18-10-6-14-27-18)22(26)23-17-11-12-20-19(15-17)24-21(28-20)16-7-3-2-4-8-16/h2-4,7-8,11-12,15,18H,5-6,9-10,13-14H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyUZVQGIXEGXFOET-SFHVURJKSA-N
XLogP4.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea 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

3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125154893
3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125167071
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118761000
3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 72922904
2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide
CID 125170840
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125160875
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 125160872
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126428709

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea?
The IUPAC name of 1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea (CID 97436331) is 1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea.
What is the SMILES notation for 1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea?
The canonical SMILES for 1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea is CN(CCC[C@H]1CCCO1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of 1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea?
The InChIKey is UZVQGIXEGXFOET-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-25(13-5-9-18-10-6-14-27-18)22(26)23-17-11-12-20-19(15-17)24-21(28-20)16-7-3-2-4-8-16/h2-4,7-8,11-12,15,18H,5-6,9-10,13-14H2,1H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea?
1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea has a molecular weight of 379.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea is sourced from PubChem (CID 97436331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).