N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

C18H24N4O3 — CID 23818720

IUPACN-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(CN(C(=O)c2cccnc2)C(CC)CC)on1
InChIInChI=1S/C18H24N4O3/c1-4-14(5-2)22(18(24)13-8-7-9-19-11-13)12-15-10-16(21-25-15)17(23)20-6-3/h7-11,14H,4-6,12H2,1-3H3,(H,20,23)
InChIKeyANXPPLQNSHRXDG-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.65
Rot. Bonds8

About N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23818720) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID23818720
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(CN(C(=O)c2cccnc2)C(CC)CC)on1
InChIInChI=1S/C18H24N4O3/c1-4-14(5-2)22(18(24)13-8-7-9-19-11-13)12-15-10-16(21-25-15)17(23)20-6-3/h7-11,14H,4-6,12H2,1-3H3,(H,20,23)
InChIKeyANXPPLQNSHRXDG-UHFFFAOYSA-N
XLogP2.65
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(pentan-3-yl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23796256
N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23770266
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965951
N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23963547
5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23904943
5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23798416
5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 118877101
5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23741978
N-[2-[[N-ethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111586279
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620
N-ethyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 155273411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide (CID 23818720) is N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1cc(CN(C(=O)c2cccnc2)C(CC)CC)on1.
What is the InChIKey of N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ANXPPLQNSHRXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-14(5-2)22(18(24)13-8-7-9-19-11-13)12-15-10-16(21-25-15)17(23)20-6-3/h7-11,14H,4-6,12H2,1-3H3,(H,20,23).
What are the key properties of N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23818720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).