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

C17H21N3O3 — CID 111104199

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
SMILESO=C(NCc1cc(-c2ccccc2)on1)NCC1(O)CCCC1
InChIInChI=1S/C17H21N3O3/c21-16(19-12-17(22)8-4-5-9-17)18-11-14-10-15(23-20-14)13-6-2-1-3-7-13/h1-3,6-7,10,22H,4-5,8-9,11-12H2,(H2,18,19,21)
InChIKeyCLCYEAZYDPFOHY-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.45
Rot. Bonds5

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

1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 111104199) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID111104199
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
SMILESO=C(NCc1cc(-c2ccccc2)on1)NCC1(O)CCCC1
InChIInChI=1S/C17H21N3O3/c21-16(19-12-17(22)8-4-5-9-17)18-11-14-10-15(23-20-14)13-6-2-1-3-7-13/h1-3,6-7,10,22H,4-5,8-9,11-12H2,(H2,18,19,21)
InChIKeyCLCYEAZYDPFOHY-UHFFFAOYSA-N
XLogP2.45
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 111538994
1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 110936606
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51106245
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95718758
N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 71788624
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
1-[2-(4-hydroxyphenyl)ethyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 122156014
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093365
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
1-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 114952613

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea (CID 111104199) is 1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea is O=C(NCc1cc(-c2ccccc2)on1)NCC1(O)CCCC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is CLCYEAZYDPFOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(19-12-17(22)8-4-5-9-17)18-11-14-10-15(23-20-14)13-6-2-1-3-7-13/h1-3,6-7,10,22H,4-5,8-9,11-12H2,(H2,18,19,21).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 315.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 111104199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).