1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide

C22H25N5O3S — CID 71288544

IUPAC1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCSCC2)cnn1C
InChIInChI=1S/C22H25N5O3S/c1-15-18(25-21(30-15)16-6-4-3-5-7-16)8-9-23-20(28)19-17(14-24-26(19)2)22(29)27-10-12-31-13-11-27/h3-7,14H,8-13H2,1-2H3,(H,23,28)
InChIKeyDXPJLBJRRAFKBK-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.55
Rot. Bonds6

About 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide

1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 71288544) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID71288544
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCSCC2)cnn1C
InChIInChI=1S/C22H25N5O3S/c1-15-18(25-21(30-15)16-6-4-3-5-7-16)8-9-23-20(28)19-17(14-24-26(19)2)22(29)27-10-12-31-13-11-27/h3-7,14H,8-13H2,1-2H3,(H,23,28)
InChIKeyDXPJLBJRRAFKBK-UHFFFAOYSA-N
XLogP2.55
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide (CID 71288544) is 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCSCC2)cnn1C.
What is the InChIKey of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is DXPJLBJRRAFKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-15-18(25-21(30-15)16-6-4-3-5-7-16)8-9-23-20(28)19-17(14-24-26(19)2)22(29)27-10-12-31-13-11-27/h3-7,14H,8-13H2,1-2H3,(H,23,28).
What are the key properties of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide?
1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(thiomorpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71288544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).