N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide

C15H27N3O2 — CID 126813963

IUPACN-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide
SMILESCCCN(CCC)Cc1cc(C(=O)NC(C)CC)no1
InChIInChI=1S/C15H27N3O2/c1-5-8-18(9-6-2)11-13-10-14(17-20-13)15(19)16-12(4)7-3/h10,12H,5-9,11H2,1-4H3,(H,16,19)
InChIKeyBIGXOIRRGRPODM-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.82
Rot. Bonds9

About N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide

N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 126813963) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide
PubChem CID126813963
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide
SMILESCCCN(CCC)Cc1cc(C(=O)NC(C)CC)no1
InChIInChI=1S/C15H27N3O2/c1-5-8-18(9-6-2)11-13-10-14(17-20-13)15(19)16-12(4)7-3/h10,12H,5-9,11H2,1-4H3,(H,16,19)
InChIKeyBIGXOIRRGRPODM-UHFFFAOYSA-N
XLogP2.82
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572496
5-[(dibutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397880
5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 54990080
5-ethyl-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 46246328
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 79478057
5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63572716
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2S)-5-methylhexan-2-yl]-1,2-oxazole-3-carboxamide
CID 95216294
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
N-butan-2-yl-5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110217

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide (CID 126813963) is N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide is CCCN(CCC)Cc1cc(C(=O)NC(C)CC)no1.
What is the InChIKey of N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BIGXOIRRGRPODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-8-18(9-6-2)11-13-10-14(17-20-13)15(19)16-12(4)7-3/h10,12H,5-9,11H2,1-4H3,(H,16,19).
What are the key properties of N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide?
N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126813963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).