5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide

C16H15N3O2S — CID 155387479

IUPAC5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1nccs1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H15N3O2S/c20-16(18-8-4-7-15-17-9-10-22-15)13-11-14(21-19-13)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,20)
InChIKeyUFASECSYKSMYET-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.16
Rot. Bonds6

About 5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide

5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 155387479) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID155387479
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1nccs1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H15N3O2S/c20-16(18-8-4-7-15-17-9-10-22-15)13-11-14(21-19-13)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,20)
InChIKeyUFASECSYKSMYET-UHFFFAOYSA-N
XLogP3.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 6465157
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 71858568
N-(pyridin-3-ylmethyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3239163
5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 42639127
N-[(3S,6R)-6-[(4-fluorophenyl)methyl]-2-methyl-4,7-dioxo-7-[[(E,2S)-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(1,3-thiazol-2-ylsulfonyl)but-3-en-2-yl]amino]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 127052718
5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 155532989
5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 6470972
5-phenyl-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 973872
N-(4-fluorobenzyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3236697
N-(1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3240914

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide (CID 155387479) is 5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide is O=C(NCCCc1nccs1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UFASECSYKSMYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-16(18-8-4-7-15-17-9-10-22-15)13-11-14(21-19-13)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,20).
What are the key properties of 5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[3-(1,3-thiazol-2-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155387479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).