1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea

C17H19N5O2 — CID 47076390

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
SMILESCCC(NC(=O)Nc1cc(C)on1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H19N5O2/c1-3-13(20-17(23)21-15-9-11(2)24-22-15)16-18-10-14(19-16)12-7-5-4-6-8-12/h4-10,13H,3H2,1-2H3,(H,18,19)(H2,20,21,22,23)
InChIKeySJQNKFNONHDVIO-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.65
Rot. Bonds5

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea (PubChem CID 47076390) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
PubChem CID47076390
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
SMILESCCC(NC(=O)Nc1cc(C)on1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H19N5O2/c1-3-13(20-17(23)21-15-9-11(2)24-22-15)16-18-10-14(19-16)12-7-5-4-6-8-12/h4-10,13H,3H2,1-2H3,(H,18,19)(H2,20,21,22,23)
InChIKeySJQNKFNONHDVIO-UHFFFAOYSA-N
XLogP3.65
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 94779070
5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95301132
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1451049
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide
CID 95153740
N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
CID 94814571
1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
CID 94825570
N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide
CID 51128542
3-(2-methoxyethoxy)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 51099230
3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 94821044
[(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid
CID 67214672
N-[(2R)-1-oxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]propan-2-yl]furan-2-carboxamide
CID 52512368
2-[methyl(pyrazin-2-yl)amino]-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]acetamide
CID 51128541

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea (CID 47076390) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea is CCC(NC(=O)Nc1cc(C)on1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
The InChIKey is SJQNKFNONHDVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-13(20-17(23)21-15-9-11(2)24-22-15)16-18-10-14(19-16)12-7-5-4-6-8-12/h4-10,13H,3H2,1-2H3,(H,18,19)(H2,20,21,22,23).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea has a molecular weight of 325.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea is sourced from PubChem (CID 47076390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).