1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea

C19H25N3O3 — CID 111473356

IUPAC1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2ccccc2N2CCCC2)o1
InChIInChI=1S/C19H25N3O3/c1-14-9-10-17(25-14)19(2,24)13-20-18(23)21-15-7-3-4-8-16(15)22-11-5-6-12-22/h3-4,7-10,24H,5-6,11-13H2,1-2H3,(H2,20,21,23)
InChIKeyYUBXZCKRMDSTRT-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.22
Rot. Bonds5

About 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea (PubChem CID 111473356) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea
PubChem CID111473356
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2ccccc2N2CCCC2)o1
InChIInChI=1S/C19H25N3O3/c1-14-9-10-17(25-14)19(2,24)13-20-18(23)21-15-7-3-4-8-16(15)22-11-5-6-12-22/h3-4,7-10,24H,5-6,11-13H2,1-2H3,(H2,20,21,23)
InChIKeyYUBXZCKRMDSTRT-UHFFFAOYSA-N
XLogP3.22
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
1-[2-(dimethylamino)phenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473604
3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122075300
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea
CID 111473769
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472987
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 167773743
1-(2-chloro-5-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474596
1-[[(2S)-1-ethylpiperidin-2-yl]methyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 100859336

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea (CID 111473356) is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea is Cc1ccc(C(C)(O)CNC(=O)Nc2ccccc2N2CCCC2)o1.
What is the InChIKey of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The InChIKey is YUBXZCKRMDSTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-9-10-17(25-14)19(2,24)13-20-18(23)21-15-7-3-4-8-16(15)22-11-5-6-12-22/h3-4,7-10,24H,5-6,11-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea has a molecular weight of 343.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 111473356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).