N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide

C19H19N3O3S2 — CID 23822532

IUPACN-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC1)c1cc(CN(Cc2cccs2)C(=O)c2cccs2)on1
InChIInChI=1S/C19H19N3O3S2/c23-18(20-10-13-5-6-13)16-9-14(25-21-16)11-22(12-15-3-1-7-26-15)19(24)17-4-2-8-27-17/h1-4,7-9,13H,5-6,10-12H2,(H,20,23)
InChIKeyBBVACBCQXSDOAN-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.78
Rot. Bonds8

About N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide

N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23822532) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID23822532
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC1)c1cc(CN(Cc2cccs2)C(=O)c2cccs2)on1
InChIInChI=1S/C19H19N3O3S2/c23-18(20-10-13-5-6-13)16-9-14(25-21-16)11-22(12-15-3-1-7-26-15)19(24)17-4-2-8-27-17/h1-4,7-9,13H,5-6,10-12H2,(H,20,23)
InChIKeyBBVACBCQXSDOAN-UHFFFAOYSA-N
XLogP3.78
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23852883
5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23741982
5-[[furan-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23735039
5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23736208
5-[[benzoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23820023
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789
5-[[(2,4-dichlorobenzoyl)-(thiophen-2-ylmethyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23798375
5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23768647
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 79494594
5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23852983
N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965951

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide (CID 23822532) is N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CC1)c1cc(CN(Cc2cccs2)C(=O)c2cccs2)on1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BBVACBCQXSDOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c23-18(20-10-13-5-6-13)16-9-14(25-21-16)11-22(12-15-3-1-7-26-15)19(24)17-4-2-8-27-17/h1-4,7-9,13H,5-6,10-12H2,(H,20,23).
What are the key properties of N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23822532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).