1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide

C23H25N5O4 — CID 71288600

IUPAC1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CC3(COC3)C2)cnn1C
InChIInChI=1S/C23H25N5O4/c1-15-18(26-21(32-15)16-6-4-3-5-7-16)8-9-24-20(29)19-17(10-25-27(19)2)22(30)28-11-23(12-28)13-31-14-23/h3-7,10H,8-9,11-14H2,1-2H3,(H,24,29)
InChIKeySGZCTZCMEWRENW-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.83
Rot. Bonds6

About 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide

1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide (PubChem CID 71288600) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide
PubChem CID71288600
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CC3(COC3)C2)cnn1C
InChIInChI=1S/C23H25N5O4/c1-15-18(26-21(32-15)16-6-4-3-5-7-16)8-9-24-20(29)19-17(10-25-27(19)2)22(30)28-11-23(12-28)13-31-14-23/h3-7,10H,8-9,11-14H2,1-2H3,(H,24,29)
InChIKeySGZCTZCMEWRENW-UHFFFAOYSA-N
XLogP1.83
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide with MolForge

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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-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide (CID 71288600) is 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-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-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CC3(COC3)C2)cnn1C.
What is the InChIKey of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide?
The InChIKey is SGZCTZCMEWRENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-15-18(26-21(32-15)16-6-4-3-5-7-16)8-9-24-20(29)19-17(10-25-27(19)2)22(30)28-11-23(12-28)13-31-14-23/h3-7,10H,8-9,11-14H2,1-2H3,(H,24,29).
What are the key properties of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide?
1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide has a molecular weight of 435.48 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-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71288600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).