3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C17H16N6O2S — CID 39866576

IUPAC3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCNc2oc(-c3ccccc3)nc2C#N)s1
InChIInChI=1S/C17H16N6O2S/c1-2-14-22-23-17(26-14)21-13(24)8-9-19-16-12(10-18)20-15(25-16)11-6-4-3-5-7-11/h3-7,19H,2,8-9H2,1H3,(H,21,23,24)
InChIKeyIOSXBPRBHWJZSX-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.07
Rot. Bonds7

About 3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 39866576) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID39866576
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCNc2oc(-c3ccccc3)nc2C#N)s1
InChIInChI=1S/C17H16N6O2S/c1-2-14-22-23-17(26-14)21-13(24)8-9-19-16-12(10-18)20-15(25-16)11-6-4-3-5-7-11/h3-7,19H,2,8-9H2,1H3,(H,21,23,24)
InChIKeyIOSXBPRBHWJZSX-UHFFFAOYSA-N
XLogP3.07
TPSA116.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[4-cyano-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]amino]propanoic acid
CID 46300082
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CID 18089569
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
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N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-3-phenylbutanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
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N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
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2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3134129
3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 120607869
2-phenylethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787323
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 39866576) is 3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)CCNc2oc(-c3ccccc3)nc2C#N)s1.
What is the InChIKey of 3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is IOSXBPRBHWJZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-2-14-22-23-17(26-14)21-13(24)8-9-19-16-12(10-18)20-15(25-16)11-6-4-3-5-7-11/h3-7,19H,2,8-9H2,1H3,(H,21,23,24).
What are the key properties of 3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 368.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 39866576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).