1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea

C18H24N4O2 — CID 47866062

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
SMILESCc1noc(C)c1CNC(=O)NCC1CCN(C)c2ccccc21
InChIInChI=1S/C18H24N4O2/c1-12-16(13(2)24-21-12)11-20-18(23)19-10-14-8-9-22(3)17-7-5-4-6-15(14)17/h4-7,14H,8-11H2,1-3H3,(H2,19,20,23)
InChIKeyLBUPLKSAZIPDFG-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.71
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea (PubChem CID 47866062) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
PubChem CID47866062
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
SMILESCc1noc(C)c1CNC(=O)NCC1CCN(C)c2ccccc21
InChIInChI=1S/C18H24N4O2/c1-12-16(13(2)24-21-12)11-20-18(23)19-10-14-8-9-22(3)17-7-5-4-6-15(14)17/h4-7,14H,8-11H2,1-3H3,(H2,19,20,23)
InChIKeyLBUPLKSAZIPDFG-UHFFFAOYSA-N
XLogP2.71
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea with MolForge

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Related Compounds

3,5-dimethyl-N-[[(4R)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94640718
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 97314273
(2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide
CID 124839666
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 47864758
1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 52516273
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80576163
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95302935
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
CID 97314358
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine;hydroiodide
CID 119140336

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea (CID 47866062) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea is Cc1noc(C)c1CNC(=O)NCC1CCN(C)c2ccccc21.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea?
The InChIKey is LBUPLKSAZIPDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-16(13(2)24-21-12)11-20-18(23)19-10-14-8-9-22(3)17-7-5-4-6-15(14)17/h4-7,14H,8-11H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 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]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea is sourced from PubChem (CID 47866062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).