2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

C19H33N3OS — CID 141063323

IUPAC2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCCCN(CCCC)CCCN1OC(N)=CC1c1ccc(C)s1
InChIInChI=1S/C19H33N3OS/c1-4-6-11-21(12-7-5-2)13-8-14-22-17(15-19(20)23-22)18-10-9-16(3)24-18/h9-10,15,17H,4-8,11-14,20H2,1-3H3
InChIKeyNOOAUUYRSYHKKI-UHFFFAOYSA-N
MW351.56 g/mol
LogP4.44
Rot. Bonds11

About 2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine

2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063323) has the molecular formula C19H33N3OS and a molecular weight of 351.56 g/mol. Its IUPAC name is 2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063323
Molecular FormulaC19H33N3OS
Molecular Weight351.56 g/mol
Exact Mass351.23
IUPAC Name2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCCCN(CCCC)CCCN1OC(N)=CC1c1ccc(C)s1
InChIInChI=1S/C19H33N3OS/c1-4-6-11-21(12-7-5-2)13-8-14-22-17(15-19(20)23-22)18-10-9-16(3)24-18/h9-10,15,17H,4-8,11-14,20H2,1-3H3
InChIKeyNOOAUUYRSYHKKI-UHFFFAOYSA-N
XLogP4.44
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063323) is 2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is CCCCN(CCCC)CCCN1OC(N)=CC1c1ccc(C)s1.
What is the InChIKey of 2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is NOOAUUYRSYHKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3OS/c1-4-6-11-21(12-7-5-2)13-8-14-22-17(15-19(20)23-22)18-10-9-16(3)24-18/h9-10,15,17H,4-8,11-14,20H2,1-3H3.
What are the key properties of 2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 351.56 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dibutylamino)propyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).