1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea

C18H22N4O3 — CID 124514073

IUPAC1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCCc1onc(C)c1NC(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O
InChIInChI=1S/C18H22N4O3/c1-4-15-16(12(3)21-25-15)20-18(24)19-14-9-10-22(17(14)23)13-7-5-11(2)6-8-13/h5-8,14H,4,9-10H2,1-3H3,(H2,19,20,24)/t14-/m0/s1
InChIKeyAGLRTHSQJGVJEF-AWEZNQCLSA-N
MW342.40 g/mol
LogP2.78
Rot. Bonds4

About 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea

1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea (PubChem CID 124514073) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
PubChem CID124514073
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCCc1onc(C)c1NC(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O
InChIInChI=1S/C18H22N4O3/c1-4-15-16(12(3)21-25-15)20-18(24)19-14-9-10-22(17(14)23)13-7-5-11(2)6-8-13/h5-8,14H,4,9-10H2,1-3H3,(H2,19,20,24)/t14-/m0/s1
InChIKeyAGLRTHSQJGVJEF-AWEZNQCLSA-N
XLogP2.78
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838900
7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119802718
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
(2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 124514063
5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 126786075
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 167807431
2-amino-2-(4-methylphenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 120668837
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
1-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 95051247
1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014855
5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 126777850

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea (CID 124514073) is 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea is CCc1onc(C)c1NC(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O.
What is the InChIKey of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is AGLRTHSQJGVJEF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-15-16(12(3)21-25-15)20-18(24)19-14-9-10-22(17(14)23)13-7-5-11(2)6-8-13/h5-8,14H,4,9-10H2,1-3H3,(H2,19,20,24)/t14-/m0/s1.
What are the key properties of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 342.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 124514073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).