4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide

C25H29N3O3 — CID 24718090

IUPAC4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCC2)C(C)C)cc1
InChIInChI=1S/C25H29N3O3/c1-18(2)28(24(29)20-11-13-21(30-3)14-12-20)17-22-23(19-9-5-4-6-10-19)26-31-25(22)27-15-7-8-16-27/h4-6,9-14,18H,7-8,15-17H2,1-3H3
InChIKeyCQPDHBYBXFRKOC-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.00
Rot. Bonds7

About 4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide

4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 24718090) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID24718090
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCC2)C(C)C)cc1
InChIInChI=1S/C25H29N3O3/c1-18(2)28(24(29)20-11-13-21(30-3)14-12-20)17-22-23(19-9-5-4-6-10-19)26-31-25(22)27-15-7-8-16-27/h4-6,9-14,18H,7-8,15-17H2,1-3H3
InChIKeyCQPDHBYBXFRKOC-UHFFFAOYSA-N
XLogP5.00
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide (CID 24718090) is 4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(Cc2c(-c3ccccc3)noc2N2CCCC2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is CQPDHBYBXFRKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-18(2)28(24(29)20-11-13-21(30-3)14-12-20)17-22-23(19-9-5-4-6-10-19)26-31-25(22)27-15-7-8-16-27/h4-6,9-14,18H,7-8,15-17H2,1-3H3.
What are the key properties of 4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide?
4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 419.53 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 24718090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).