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

C22H25N5O4 — CID 71288657

IUPAC1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCOCC2)cnn1C
InChIInChI=1S/C22H25N5O4/c1-15-18(25-21(31-15)16-6-4-3-5-7-16)8-9-23-20(28)19-17(14-24-26(19)2)22(29)27-10-12-30-13-11-27/h3-7,14H,8-13H2,1-2H3,(H,23,28)
InChIKeyFKAVUMYTXNXHJJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.83
Rot. Bonds6

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

1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 71288657) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID71288657
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCOCC2)cnn1C
InChIInChI=1S/C22H25N5O4/c1-15-18(25-21(31-15)16-6-4-3-5-7-16)8-9-23-20(28)19-17(14-24-26(19)2)22(29)27-10-12-30-13-11-27/h3-7,14H,8-13H2,1-2H3,(H,23,28)
InChIKeyFKAVUMYTXNXHJJ-UHFFFAOYSA-N
XLogP1.83
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.83
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-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 71288657) is 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-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-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCOCC2)cnn1C.
What is the InChIKey of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is FKAVUMYTXNXHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-15-18(25-21(31-15)16-6-4-3-5-7-16)8-9-23-20(28)19-17(14-24-26(19)2)22(29)27-10-12-30-13-11-27/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-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 1.83, 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-(morpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71288657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).