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

C24H27N3O3S — CID 42329829

IUPACN-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)C4CCCCC4)c(C)o3)c2)s1
InChIInChI=1S/C24H27N3O3S/c1-15-11-12-21(31-15)23(29)26-19-10-6-9-18(13-19)24-27-20(16(2)30-24)14-25-22(28)17-7-4-3-5-8-17/h6,9-13,17H,3-5,7-8,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyBYHKSSFQZVYJSG-UHFFFAOYSA-N
MW437.57 g/mol
LogP5.47
Rot. Bonds6

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

N-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 42329829) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide
PubChem CID42329829
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)C4CCCCC4)c(C)o3)c2)s1
InChIInChI=1S/C24H27N3O3S/c1-15-11-12-21(31-15)23(29)26-19-10-6-9-18(13-19)24-27-20(16(2)30-24)14-25-22(28)17-7-4-3-5-8-17/h6,9-13,17H,3-5,7-8,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyBYHKSSFQZVYJSG-UHFFFAOYSA-N
XLogP5.47
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide (CID 42329829) is N-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)C4CCCCC4)c(C)o3)c2)s1.
What is the InChIKey of N-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is BYHKSSFQZVYJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-15-11-12-21(31-15)23(29)26-19-10-6-9-18(13-19)24-27-20(16(2)30-24)14-25-22(28)17-7-4-3-5-8-17/h6,9-13,17H,3-5,7-8,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide?
N-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(cyclohexanecarbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 42329829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).