3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea

C21H27N5O2 — CID 155956812

IUPAC3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea
SMILESCCC(NC(=O)N(C)Cc1ccc(Cn2ccnc2)cc1)c1c(C)noc1C
InChIInChI=1S/C21H27N5O2/c1-5-19(20-15(2)24-28-16(20)3)23-21(27)25(4)12-17-6-8-18(9-7-17)13-26-11-10-22-14-26/h6-11,14,19H,5,12-13H2,1-4H3,(H,23,27)
InChIKeyKRGVXEJSSSYQIP-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.83
Rot. Bonds7

About 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea

3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea (PubChem CID 155956812) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea.

Molecular Properties

Compound Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea
PubChem CID155956812
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea
SMILESCCC(NC(=O)N(C)Cc1ccc(Cn2ccnc2)cc1)c1c(C)noc1C
InChIInChI=1S/C21H27N5O2/c1-5-19(20-15(2)24-28-16(20)3)23-21(27)25(4)12-17-6-8-18(9-7-17)13-26-11-10-22-14-26/h6-11,14,19H,5,12-13H2,1-4H3,(H,23,27)
InChIKeyKRGVXEJSSSYQIP-UHFFFAOYSA-N
XLogP3.83
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea 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

(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124570295
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 53499224
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide
CID 166407024
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
CID 94668730
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
3-(1-imidazol-1-ylbutan-2-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 121496407
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46766795
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 122158392
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea?
The IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea (CID 155956812) is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea.
What is the SMILES notation for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea?
The canonical SMILES for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea is CCC(NC(=O)N(C)Cc1ccc(Cn2ccnc2)cc1)c1c(C)noc1C.
What is the InChIKey of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea?
The InChIKey is KRGVXEJSSSYQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-5-19(20-15(2)24-28-16(20)3)23-21(27)25(4)12-17-6-8-18(9-7-17)13-26-11-10-22-14-26/h6-11,14,19H,5,12-13H2,1-4H3,(H,23,27).
What are the key properties of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea?
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea has a molecular weight of 381.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea is sourced from PubChem (CID 155956812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).