4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole

C9H10N2O2 — CID 89186950

IUPAC4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole
SMILESCCCc1nc(-c2cocn2)co1
InChIInChI=1S/C9H10N2O2/c1-2-3-9-11-8(5-13-9)7-4-12-6-10-7/h4-6H,2-3H2,1H3
InChIKeyPFRHPNSWSFHSAX-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.28
Rot. Bonds3

About 4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole

4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole (PubChem CID 89186950) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole
PubChem CID89186950
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole
SMILESCCCc1nc(-c2cocn2)co1
InChIInChI=1S/C9H10N2O2/c1-2-3-9-11-8(5-13-9)7-4-12-6-10-7/h4-6H,2-3H2,1H3
InChIKeyPFRHPNSWSFHSAX-UHFFFAOYSA-N
XLogP2.28
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole?
The IUPAC name of 4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole (CID 89186950) is 4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole.
What is the SMILES notation for 4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole?
The canonical SMILES for 4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole is CCCc1nc(-c2cocn2)co1.
What is the InChIKey of 4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole?
The InChIKey is PFRHPNSWSFHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-3-9-11-8(5-13-9)7-4-12-6-10-7/h4-6H,2-3H2,1H3.
What are the key properties of 4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole?
4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole has a molecular weight of 178.19 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-4-yl)-2-propyl-1,3-oxazole is sourced from PubChem (CID 89186950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).