N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H18N4O3S — CID 118901818

IUPACN-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ncc(CNCCCNC(=O)c2cc(-c3cccs3)on2)o1
InChIInChI=1S/C16H18N4O3S/c1-11-19-10-12(22-11)9-17-5-3-6-18-16(21)13-8-14(23-20-13)15-4-2-7-24-15/h2,4,7-8,10,17H,3,5-6,9H2,1H3,(H,18,21)
InChIKeyLOQXXRXLKBKEMU-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.61
Rot. Bonds8

About N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 118901818) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID118901818
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ncc(CNCCCNC(=O)c2cc(-c3cccs3)on2)o1
InChIInChI=1S/C16H18N4O3S/c1-11-19-10-12(22-11)9-17-5-3-6-18-16(21)13-8-14(23-20-13)15-4-2-7-24-15/h2,4,7-8,10,17H,3,5-6,9H2,1H3,(H,18,21)
InChIKeyLOQXXRXLKBKEMU-UHFFFAOYSA-N
XLogP2.61
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122190963
N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 60167660
5-phenyl-N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)oxazole-2-carboxamide
CID 45511532
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
CID 71877466
5-(4-fluorophenyl)-N-(3-(thiophen-2-yl)isoxazol-5-yl)oxazole-2-carboxamide
CID 76145350
N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877041
5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24668656
N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)picolinamide
CID 45511537
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(thiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347111
N-methyl-1-[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]-N-[(3-pyridin-4-ylisoxazol-5-yl)methyl]methanamine
CID 56743292
N-(1,1-dimethyl-2-{methyl[(3-pyridin-2-ylisoxazol-5-yl)methyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 132409146
N-(2-pyridin-2-yloxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 25164318

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 118901818) is N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1ncc(CNCCCNC(=O)c2cc(-c3cccs3)on2)o1.
What is the InChIKey of N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LOQXXRXLKBKEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-11-19-10-12(22-11)9-17-5-3-6-18-16(21)13-8-14(23-20-13)15-4-2-7-24-15/h2,4,7-8,10,17H,3,5-6,9H2,1H3,(H,18,21).
What are the key properties of N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118901818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).