1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea

C19H20N4O2 — CID 90619144

IUPAC1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea
SMILESO=C(NCC1CCCN1c1nc2ccccc2o1)Nc1ccccc1
InChIInChI=1S/C19H20N4O2/c24-18(21-14-7-2-1-3-8-14)20-13-15-9-6-12-23(15)19-22-16-10-4-5-11-17(16)25-19/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,20,21,24)
InChIKeyKCMAPRZFJBWXJN-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.62
Rot. Bonds4

About 1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea

1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea (PubChem CID 90619144) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea
PubChem CID90619144
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea
SMILESO=C(NCC1CCCN1c1nc2ccccc2o1)Nc1ccccc1
InChIInChI=1S/C19H20N4O2/c24-18(21-14-7-2-1-3-8-14)20-13-15-9-6-12-23(15)19-22-16-10-4-5-11-17(16)25-19/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,20,21,24)
InChIKeyKCMAPRZFJBWXJN-UHFFFAOYSA-N
XLogP3.62
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-(4-fluorophenyl)urea
CID 90619148
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-ethoxyacetamide
CID 90618857
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-methylbenzamide
CID 90619120
N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 99874520
N-[[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 99874511
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 90618934
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-4-sulfamoylbenzamide
CID 90619044
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 90618920
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-fluorophenoxy)acetamide
CID 90618902
N-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 99874453

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea (CID 90619144) is 1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea is O=C(NCC1CCCN1c1nc2ccccc2o1)Nc1ccccc1.
What is the InChIKey of 1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea?
The InChIKey is KCMAPRZFJBWXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(21-14-7-2-1-3-8-14)20-13-15-9-6-12-23(15)19-22-16-10-4-5-11-17(16)25-19/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,20,21,24).
What are the key properties of 1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea?
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea has a molecular weight of 336.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 90619144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).