1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea

C9H7ClN4O2 — CID 154724441

IUPAC1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1nc(Cl)co1
InChIInChI=1S/C9H7ClN4O2/c10-7-5-16-9(13-7)14-8(15)12-6-2-1-3-11-4-6/h1-5H,(H2,12,13,14,15)
InChIKeyQTUIEJLMTQAVQL-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.37
Rot. Bonds2

About 1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea

1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea (PubChem CID 154724441) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea
PubChem CID154724441
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1nc(Cl)co1
InChIInChI=1S/C9H7ClN4O2/c10-7-5-16-9(13-7)14-8(15)12-6-2-1-3-11-4-6/h1-5H,(H2,12,13,14,15)
InChIKeyQTUIEJLMTQAVQL-UHFFFAOYSA-N
XLogP2.37
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyano-1,3-oxazol-2-yl)-3-pyridin-3-ylurea
CID 154706654
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
1-(2-methylpyrazol-3-yl)-3-pyridin-3-ylurea
CID 108813744
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-anilino-3-pyridin-3-ylurea
CID 47127655

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea (CID 154724441) is 1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea is O=C(Nc1cccnc1)Nc1nc(Cl)co1.
What is the InChIKey of 1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea?
The InChIKey is QTUIEJLMTQAVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-7-5-16-9(13-7)14-8(15)12-6-2-1-3-11-4-6/h1-5H,(H2,12,13,14,15).
What are the key properties of 1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea?
1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea has a molecular weight of 238.63 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-oxazol-2-yl)-3-pyridin-3-ylurea is sourced from PubChem (CID 154724441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).