N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine

C14H20N2OS — CID 56658969

IUPACN-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCCCN(CCC)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C14H20N2OS/c1-3-7-16(8-4-2)10-12-11-17-14(15-12)13-6-5-9-18-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyUDVQBEDZWZNGPG-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.03
Rot. Bonds7

About N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine

N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine (PubChem CID 56658969) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
PubChem CID56658969
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCCCN(CCC)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C14H20N2OS/c1-3-7-16(8-4-2)10-12-11-17-14(15-12)13-6-5-9-18-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyUDVQBEDZWZNGPG-UHFFFAOYSA-N
XLogP4.03
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine (CID 56658969) is N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine is CCCN(CCC)Cc1coc(-c2cccs2)n1.
What is the InChIKey of N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The InChIKey is UDVQBEDZWZNGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-7-16(8-4-2)10-12-11-17-14(15-12)13-6-5-9-18-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 56658969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).