N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide

C14H23N3O3 — CID 106388450

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C14H23N3O3/c1-4-5-15-12-8-19-7-11(12)13(18)17-10(3)14-16-6-9(2)20-14/h6,10-12,15H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyWTYYABWZDATTEY-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.17
Rot. Bonds6

About N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 106388450) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID106388450
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C14H23N3O3/c1-4-5-15-12-8-19-7-11(12)13(18)17-10(3)14-16-6-9(2)20-14/h6,10-12,15H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyWTYYABWZDATTEY-UHFFFAOYSA-N
XLogP1.17
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide (CID 106388450) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NC(C)c1ncc(C)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is WTYYABWZDATTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-5-15-12-8-19-7-11(12)13(18)17-10(3)14-16-6-9(2)20-14/h6,10-12,15H,4-5,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 106388450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).