1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea

C10H15N3OS — CID 115704568

IUPAC1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea
SMILESS=C(NCc1ccon1)NC1CCCC1
InChIInChI=1S/C10H15N3OS/c15-10(12-8-3-1-2-4-8)11-7-9-5-6-14-13-9/h5-6,8H,1-4,7H2,(H2,11,12,15)
InChIKeyMEMXXSJLQAHDEU-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.58
Rot. Bonds3

About 1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea

1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea (PubChem CID 115704568) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea
PubChem CID115704568
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea
SMILESS=C(NCc1ccon1)NC1CCCC1
InChIInChI=1S/C10H15N3OS/c15-10(12-8-3-1-2-4-8)11-7-9-5-6-14-13-9/h5-6,8H,1-4,7H2,(H2,11,12,15)
InChIKeyMEMXXSJLQAHDEU-UHFFFAOYSA-N
XLogP1.58
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea
CID 19686556
N-cycloheptyl-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81177432
1-[(4-chlorophenyl)methyl]-3-cyclooctylthiourea
CID 19650547
1-[(4-chlorophenyl)methyl]-3-cyclododecylthiourea
CID 19652517
N-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
CID 81170885
1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
CID 106370549
3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 81178610
1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8789325
1-cyclopentyl-3-[(3-methyl-4-pyridinyl)methyl]thiourea
CID 114699391
1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
CID 2730103
1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 81178491
N-(oxan-4-yl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81178209

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea (CID 115704568) is 1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea is S=C(NCc1ccon1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea?
The InChIKey is MEMXXSJLQAHDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c15-10(12-8-3-1-2-4-8)11-7-9-5-6-14-13-9/h5-6,8H,1-4,7H2,(H2,11,12,15).
What are the key properties of 1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea?
1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea has a molecular weight of 225.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea is sourced from PubChem (CID 115704568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).