N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C14H17N3O2S — CID 75393416

IUPACN-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCSCc1ccnc(NC(=O)c2oc(C)nc2C)c1
InChIInChI=1S/C14H17N3O2S/c1-4-20-8-11-5-6-15-12(7-11)17-14(18)13-9(2)16-10(3)19-13/h5-7H,4,8H2,1-3H3,(H,15,17,18)
InChIKeyBJGYCQXQVFQWLV-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.19
Rot. Bonds5

About N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 75393416) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID75393416
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCSCc1ccnc(NC(=O)c2oc(C)nc2C)c1
InChIInChI=1S/C14H17N3O2S/c1-4-20-8-11-5-6-15-12(7-11)17-14(18)13-9(2)16-10(3)19-13/h5-7H,4,8H2,1-3H3,(H,15,17,18)
InChIKeyBJGYCQXQVFQWLV-UHFFFAOYSA-N
XLogP3.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 75393416) is N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is CCSCc1ccnc(NC(=O)c2oc(C)nc2C)c1.
What is the InChIKey of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is BJGYCQXQVFQWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-20-8-11-5-6-15-12(7-11)17-14(18)13-9(2)16-10(3)19-13/h5-7H,4,8H2,1-3H3,(H,15,17,18).
What are the key properties of N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 75393416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).