2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide

C14H26N4O2 — CID 3866343

IUPAC2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NCCN(CC)CC)co1
InChIInChI=1S/C14H26N4O2/c1-4-7-11(15)14-17-12(10-20-14)13(19)16-8-9-18(5-2)6-3/h10-11H,4-9,15H2,1-3H3,(H,16,19)
InChIKeyBDYVUGNBYSJYDA-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.55
Rot. Bonds9

About 2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide

2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 3866343) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID3866343
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NCCN(CC)CC)co1
InChIInChI=1S/C14H26N4O2/c1-4-7-11(15)14-17-12(10-20-14)13(19)16-8-9-18(5-2)6-3/h10-11H,4-9,15H2,1-3H3,(H,16,19)
InChIKeyBDYVUGNBYSJYDA-UHFFFAOYSA-N
XLogP1.55
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 3795383
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 4996645
2-(1-aminobutyl)-N-[2-(4-nitrophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3530922
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3829499
2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 3866540
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[3-(dibutylamino)propyl]-1,3-oxazole-4-carboxamide
CID 3833731
2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3864472
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide (CID 3866343) is 2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide is CCCC(N)c1nc(C(=O)NCCN(CC)CC)co1.
What is the InChIKey of 2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is BDYVUGNBYSJYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-7-11(15)14-17-12(10-20-14)13(19)16-8-9-18(5-2)6-3/h10-11H,4-9,15H2,1-3H3,(H,16,19).
What are the key properties of 2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide?
2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3866343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).