5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine

C10H11ClN2O2 — CID 106690685

IUPAC5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccoc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-2-3-7-8(15-13-10(7)12)6-4-5-14-9(6)11/h4-5H,2-3H2,1H3,(H2,12,13)
InChIKeyAHXBXTWBCSXXHP-UHFFFAOYSA-N
MW226.66 g/mol
LogP3.12
Rot. Bonds3

About 5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine

5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 106690685) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine
PubChem CID106690685
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccoc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-2-3-7-8(15-13-10(7)12)6-4-5-14-9(6)11/h4-5H,2-3H2,1H3,(H2,12,13)
InChIKeyAHXBXTWBCSXXHP-UHFFFAOYSA-N
XLogP3.12
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 107101289
5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine
CID 106690691
5-(5-chlorofuran-2-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690686
5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411950
5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411963
5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79412173
5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 81117241
5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411623
5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 107954850
5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 113296257
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1,2-oxazol-3-amine
CID 106690627
4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79412634

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine (CID 106690685) is 5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1ccoc1Cl.
What is the InChIKey of 5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is AHXBXTWBCSXXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-2-3-7-8(15-13-10(7)12)6-4-5-14-9(6)11/h4-5H,2-3H2,1H3,(H2,12,13).
What are the key properties of 5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine?
5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 226.66 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 106690685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).