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

C18H22N4O3 — CID 51081529

IUPAC1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESO=C(NCCCN1CCCC1=O)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H22N4O3/c23-17-8-4-10-22(17)11-5-9-19-18(24)21-13-16-20-12-15(25-16)14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11,13H2,(H2,19,21,24)
InChIKeySEQSKLLDZIAFDZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.15
Rot. Bonds7

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

1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 51081529) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID51081529
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESO=C(NCCCN1CCCC1=O)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H22N4O3/c23-17-8-4-10-22(17)11-5-9-19-18(24)21-13-16-20-12-15(25-16)14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11,13H2,(H2,19,21,24)
InChIKeySEQSKLLDZIAFDZ-UHFFFAOYSA-N
XLogP2.15
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 47015050
1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 134061158
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
1-[(3-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108898444
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 94181052
1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 51469803
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
1-(oxan-4-ylidenemethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108913052

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (CID 51081529) is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is O=C(NCCCN1CCCC1=O)NCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is SEQSKLLDZIAFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17-8-4-10-22(17)11-5-9-19-18(24)21-13-16-20-12-15(25-16)14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11,13H2,(H2,19,21,24).
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 342.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 51081529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).