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

C18H23N3O3 — CID 111504918

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESCC1(CO)CCCC1NC(=O)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H23N3O3/c1-18(12-22)9-5-8-15(18)21-17(23)20-11-16-19-10-14(24-16)13-6-3-2-4-7-13/h2-4,6-7,10,15,22H,5,8-9,11-12H2,1H3,(H2,20,21,23)
InChIKeyPKNIYMOWZQSYIL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.69
Rot. Bonds5

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

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 111504918) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID111504918
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESCC1(CO)CCCC1NC(=O)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H23N3O3/c1-18(12-22)9-5-8-15(18)21-17(23)20-11-16-19-10-14(24-16)13-6-3-2-4-7-13/h2-4,6-7,10,15,22H,5,8-9,11-12H2,1H3,(H2,20,21,23)
InChIKeyPKNIYMOWZQSYIL-UHFFFAOYSA-N
XLogP2.69
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 111486885
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111630637
1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 110936606
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(2-phenylcyclopropyl)methyl]urea
CID 111506232
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylcyclopropyl)urea
CID 111505299
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea
CID 165119935
1-(5,5-dimethylhexyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86890674
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 106374336
1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504618
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
CID 138033045

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (CID 111504918) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is CC1(CO)CCCC1NC(=O)NCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is PKNIYMOWZQSYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(12-22)9-5-8-15(18)21-17(23)20-11-16-19-10-14(24-16)13-6-3-2-4-7-13/h2-4,6-7,10,15,22H,5,8-9,11-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 111504918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).