5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide

C17H16N4O2S — CID 122558799

IUPAC5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccncc2)n1)c1ncoc1C1CC1
InChIInChI=1S/C17H16N4O2S/c22-16(14-15(11-1-2-11)23-10-20-14)19-8-5-13-9-24-17(21-13)12-3-6-18-7-4-12/h3-4,6-7,9-11H,1-2,5,8H2,(H,19,22)
InChIKeyMDUGJWBGFRAEDX-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.04
Rot. Bonds6

About 5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 122558799) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID122558799
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccncc2)n1)c1ncoc1C1CC1
InChIInChI=1S/C17H16N4O2S/c22-16(14-15(11-1-2-11)23-10-20-14)19-8-5-13-9-24-17(21-13)12-3-6-18-7-4-12/h3-4,6-7,9-11H,1-2,5,8H2,(H,19,22)
InChIKeyMDUGJWBGFRAEDX-UHFFFAOYSA-N
XLogP3.04
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 91787820
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N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 122131376
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
6-oxo-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 110625021
2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7163678
5-cyclopropyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 118769856
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310118
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 122558799) is 5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1csc(-c2ccncc2)n1)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is MDUGJWBGFRAEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(14-15(11-1-2-11)23-10-20-14)19-8-5-13-9-24-17(21-13)12-3-6-18-7-4-12/h3-4,6-7,9-11H,1-2,5,8H2,(H,19,22).
What are the key properties of 5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122558799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).