N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

C24H29N5O4 — CID 45203204

IUPACN-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)Cc2c(C)noc2C)CC1)c1ccccc1
InChIInChI=1S/C24H29N5O4/c1-16-20(17(2)33-27-16)15-22(30)28-13-10-19(11-14-28)29-21(9-12-25-29)26-24(31)23(32-3)18-7-5-4-6-8-18/h4-9,12,19,23H,10-11,13-15H2,1-3H3,(H,26,31)
InChIKeyTYJVUNBFSRCJJP-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.22
Rot. Bonds7

About N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 45203204) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
PubChem CID45203204
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC NameN-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)Cc2c(C)noc2C)CC1)c1ccccc1
InChIInChI=1S/C24H29N5O4/c1-16-20(17(2)33-27-16)15-22(30)28-13-10-19(11-14-28)29-21(9-12-25-29)26-24(31)23(32-3)18-7-5-4-6-8-18/h4-9,12,19,23H,10-11,13-15H2,1-3H3,(H,26,31)
InChIKeyTYJVUNBFSRCJJP-UHFFFAOYSA-N
XLogP3.22
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (CID 45203204) is N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(C(=O)Cc2c(C)noc2C)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is TYJVUNBFSRCJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-16-20(17(2)33-27-16)15-22(30)28-13-10-19(11-14-28)29-21(9-12-25-29)26-24(31)23(32-3)18-7-5-4-6-8-18/h4-9,12,19,23H,10-11,13-15H2,1-3H3,(H,26,31).
What are the key properties of N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 451.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 45203204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).