1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea

C15H19ClN4O2 — CID 71989228

IUPAC1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCCC(CC)c1cc(CNC(=O)Nc2cccnc2Cl)on1
InChIInChI=1S/C15H19ClN4O2/c1-3-10(4-2)13-8-11(22-20-13)9-18-15(21)19-12-6-5-7-17-14(12)16/h5-8,10H,3-4,9H2,1-2H3,(H2,18,19,21)
InChIKeyFPNLZONAQMFMGB-UHFFFAOYSA-N
MW322.80 g/mol
LogP3.95
Rot. Bonds6

About 1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea

1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 71989228) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
PubChem CID71989228
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCCC(CC)c1cc(CNC(=O)Nc2cccnc2Cl)on1
InChIInChI=1S/C15H19ClN4O2/c1-3-10(4-2)13-8-11(22-20-13)9-18-15(21)19-12-6-5-7-17-14(12)16/h5-8,10H,3-4,9H2,1-2H3,(H2,18,19,21)
InChIKeyFPNLZONAQMFMGB-UHFFFAOYSA-N
XLogP3.95
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71994479
1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 111474136
3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylcarbamoylamino]propanoic acid
CID 122003771
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753
1-(2-chloro-3-pyridinyl)-3-[(2-fluorophenyl)methyl]urea
CID 47400847
2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride
CID 119804379
1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
CID 108895086
1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-(quinolin-8-ylmethyl)guanidine
CID 111674810
1-(2-chloro-3-pyridinyl)-3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]urea
CID 75457749
2-methyl-N-[2-[[N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111675459
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
1-(2-chloro-3-pyridinyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111486854

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea (CID 71989228) is 1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea is CCC(CC)c1cc(CNC(=O)Nc2cccnc2Cl)on1.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is FPNLZONAQMFMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-3-10(4-2)13-8-11(22-20-13)9-18-15(21)19-12-6-5-7-17-14(12)16/h5-8,10H,3-4,9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 322.80 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 71989228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).