5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide

C20H21N3O3S — CID 42340017

IUPAC5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCCC(=O)NCc1nc(-c2cccc(NC(=O)c3ccc(C)s3)c2)oc1C
InChIInChI=1S/C20H21N3O3S/c1-4-18(24)21-11-16-13(3)26-20(23-16)14-6-5-7-15(10-14)22-19(25)17-9-8-12(2)27-17/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeySEIFQDKHAPIZBG-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.30
Rot. Bonds6

About 5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide

5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 42340017) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID42340017
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCCC(=O)NCc1nc(-c2cccc(NC(=O)c3ccc(C)s3)c2)oc1C
InChIInChI=1S/C20H21N3O3S/c1-4-18(24)21-11-16-13(3)26-20(23-16)14-6-5-7-15(10-14)22-19(25)17-9-8-12(2)27-17/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeySEIFQDKHAPIZBG-UHFFFAOYSA-N
XLogP4.30
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide (CID 42340017) is 5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide is CCC(=O)NCc1nc(-c2cccc(NC(=O)c3ccc(C)s3)c2)oc1C.
What is the InChIKey of 5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is SEIFQDKHAPIZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-18(24)21-11-16-13(3)26-20(23-16)14-6-5-7-15(10-14)22-19(25)17-9-8-12(2)27-17/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[5-methyl-4-[(propanoylamino)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 42340017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).